IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
(Allylthio)(methylthio)selenide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY009914
Phytochemical name:
(Allylthio)(methylthio)selenide
Synonymous chemical names:
allythio-methylthioselenide
External chemical identifiers:
CID:129711950
Chemical structure information
SMILES:
C=CCSCS[Se]SCSCC=C
InChI:
InChI=1S/C8H14S4Se/c1-3-5-9-7-11-13-12-8-10-6-4-2/h3-4H,1-2,5-8H2
InChIKey:
UARQUBXDSSQGRB-UHFFFAOYSA-N
DeepSMILES:
C=CCSCS[Se]SCSCC=C
Functional groups:
C=CC, CSCS[Se]SCSC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organosulfur compounds
ClassyFire Class:
Allyl sulfur compounds
NP-Likeness score:
-0.059
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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