(2E)-2-cyano-2-(2-oxo-1H-indol-3-ylidene)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

Formula:C14H6N5O2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-cyano-2-(2-oxo-1H-indol-3-ylidene)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is a drug-like molecule.

MolName	(2E)-2-cyano-2-(2-oxo-1H-indol-3-ylidene)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
MolecularFormula	C14H6N5O2F3S
Smiles	N#C/C(/C(Nc1nnc(C(F)(F)F)s1)=O)=C(/c(cccc1)c1N1)\C1=O
InChI	InChI=1S/C14H6F3N5O2S/c15-14(16,17)12-21-22-13(25-12)20-10(23)7(5-18)9-6-3-1-2-4-8(6)19-11(9)24/h1-4H,(H,19,24)(H,20,22,23)
InChIK	FEPHFKXAWQUXIE-UHFFFAOYSA-N
TotalMolweight	365.295
Molweight	365.295
MonoisotopicMass	365.019429
CLogP	1.0787
CLogS	-3.372
H Acceptors	7
H Donors	2
TotalSurfaceArea	245.49
Relative PSA	0.42715
PolarSurfaceArea	136.01
Druglikeness	-13.052
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
StereoCon

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