IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
trans-Dipropenyl disulfide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015967
Phytochemical name:
trans-Dipropenyl disulfide
Synonymous chemical names:
trans-dipropenyl disulphide
External chemical identifiers:
CID:129675086
Chemical structure information
SMILES:
CC=CSS/C=C/C
InChI:
InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-6H,1-2H3/b5-3+,6-4?
InChIKey:
FHSDVOJKLYJNCQ-UHMKDZKBSA-N
DeepSMILES:
CC=CSS/C=C/C
Functional groups:
CC=CSS/C=C/C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organosulfur compounds
ClassyFire Class:
Organic disulfides
NP-Likeness score:
1.335
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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