Mrv1652309032023512D          

 17 18  0  0  0  0            999 V2000
10000.1808 9998.4527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.3932 9998.4609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.925710000.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.2110 9999.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.3995 9999.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.828910001.5463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.4009 9999.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.115310000.3092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10002.115310001.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.400910001.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.686410001.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.686410000.3092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.304010000.3929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.9714 9999.9079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.7165 9999.1233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.8915 9999.1233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.6366 9999.9079    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  7  5  2  0  0  0  0
  9  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 15  1  1  6  0  0  0
 14 12  1  1  0  0  0
 17  3  1  1  0  0  0
 16  2  1  6  0  0  0
M  END
> <DATABASE_ID>
CDB004799

> <DATABASE_NAME>
CDB

> <SMILES>
NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1

> <INCHI_KEY>
UHDGCWIWMRVCDJ-XVFCMESISA-N

> <FORMULA>
C9H13N3O5

> <MOLECULAR_WEIGHT>
243.2166

> <EXACT_MASS>
243.085520541

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
22.396851839019853

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one

> <ALOGPS_LOGP>
-2.18

> <JCHEM_LOGP>
-2.7975172843333334

> <ALOGPS_LOGS>
-0.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.933688762534231

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.553240841265485

> <JCHEM_PKA_STRONGEST_BASIC>
-0.06234248538184939

> <JCHEM_POLAR_SURFACE_AREA>
128.60999999999999

> <JCHEM_REFRACTIVITY>
54.544799999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.38e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cytidine

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB004799

> <GENERIC_NAME>
Cytidine

$$$$