IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Cyclopropene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY009594
Phytochemical name:
Cyclopropene
Synonymous chemical names:
cyclopropene
External chemical identifiers:
CID:123173
,
ChEBI:51205
,
FDASRS:7B8994OHJ0
,
SureChEMBL:SCHEMBL2326
Chemical structure information
SMILES:
C1=CC1
InChI:
InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2
InChIKey:
OOXWYYGXTJLWHA-UHFFFAOYSA-N
DeepSMILES:
C=CC3
Functional groups:
C1=CC1
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=CC1
Scaffold Graph/Node level:
C1CC1
Scaffold Graph level:
C1CC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Unsaturated hydrocarbons
ClassyFire Subclass:
Olefins
NP-Likeness score:
1.923
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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