Toggle navigation
Cannabis Database
Browse
Compounds
Protein Targets
Cannabis Cultivars
Pathways
Search
ChemQuery Structure Search
Molecular Weight Search
Text Query
Sequence Search
Advanced Search
LC-MS Search
LC-MS/MS Search
GC-MS Search
NMR Search
Downloads
About
About Cannabis Compound Database
Statistics
FAIR Compliance
API Information
Wishart Research Group
Contact Us
Search
Showing structure for CDB000644 (Methylhydrazine)
6061 -OEChem-10091907213D 9 8 0 0 0 0 0 0 0999 V2000 0.0143 -0.5628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1618 0.2866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1761 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0675 -0.3592 -0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2205 0.9073 -0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2255 0.9142 0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0248 -1.1395 0.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2243 0.7734 0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 -0.2922 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 6061 > <PUBCHEM_CONFORMER_RMSD> 0.4 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 6 1 -0.63 2 -0.72 3 0.27 7 0.36 8 0.36 9 0.36 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 0 > <PUBCHEM_PHARMACOPHORE_FEATURES> 2 1 1 donor 1 2 donor > <PUBCHEM_HEAVY_ATOM_COUNT> 3 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 0 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> 1 > <PUBCHEM_CONFORMER_ID> 000017AD00000001 > <PUBCHEM_MMFF94_ENERGY> 0.8205 > <PUBCHEM_FEATURE_SELFOVERLAP> 11.471 > <PUBCHEM_SHAPE_FINGERPRINT> 139733 1 18410856559682117509 21015797 1 17975981186739561735 > <PUBCHEM_SHAPE_MULTIPOLES> 51.78 1.5 0.7 0.55 0.01 0.02 0 -0.25 0 0.01 0 0.04 -0.01 0 > <PUBCHEM_SHAPE_SELFOVERLAP> 76.74 > <PUBCHEM_SHAPE_VOLUME> 39.3 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
Download:
MOL
SDF
3D-SDF
PDB
SMILES
InChI
×
Structure for CDB000644 (Methylhydrazine)