Mrv1652303202019012D          

  7  5  0  0  0  0            999 V2000
    0.0409   -0.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0409   -0.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3609    0.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009    0.2471    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1134   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2066    0.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3609    0.9071    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  CHG  2   4   1   7  -1
M  END
> <DATABASE_ID>
CDB000228

> <DATABASE_NAME>
CDB

> <SMILES>
[OH-].C[N+](C)(C)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C5H12N.H2O/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H2/q+1;/p-1

> <INCHI_KEY>
NIPLIJLVGZCKMP-UHFFFAOYSA-M

> <FORMULA>
C5H13NO

> <MOLECULAR_WEIGHT>
103.1628

> <EXACT_MASS>
103.099714043

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
10.900152097009169

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethenyltrimethylazanium hydroxide

> <ALOGPS_LOGP>
-1.03

> <JCHEM_LOGP>
-3.467492750805079

> <ALOGPS_LOGS>
-1.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
39.5939

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.80e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethenyltrimethylazanium hydroxide

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000228

> <GENERIC_NAME>
Neurine 

$$$$