(E)-2-cyano-3-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide

Formula:C15H8N5OF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
MolecularFormula	C15H8N5OF3S
Smiles	N#C/C(/C(Nc1nnc(C(F)(F)F)s1)=O)=C\c1c[nH]c2c1cccc2
InChI	InChI=1S/C15H8F3N5OS/c16-15(17,18)13-22-23-14(25-13)21-12(24)8(6-19)5-9-7-20-11-4-2-1-3-10(9)11/h1-5,7,20H,(H,21,23,24)
InChIK	FJMRTPDPCRQIPC-UHFFFAOYSA-N
TotalMolweight	363.323
Molweight	363.323
MonoisotopicMass	363.040164
CLogP	2.719
CLogS	-4.28
H Acceptors	6
H Donors	2
TotalSurfaceArea	255.74
Relative PSA	0.36893
PolarSurfaceArea	122.7
Druglikeness	-12.887
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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