N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]pyridine-4-carboxamide

Formula:C14H10N3O2F3S Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]pyridine-4-carboxamide is a drug-like molecule.

MolName	N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]pyridine-4-carboxamide
MolecularFormula	C14H10N3O2F3S
Smiles	O=C(C/C(/C(F)(F)F)=N/NC(c1ccncc1)=O)c1cccs1
InChI	InChI=1S/C14H10F3N3O2S/c15-14(16,17)12(8-10(21)11-2-1-7-23-11)19-20-13(22)9-3-5-18-6-4-9/h1-7H,8H2,(H,20,22)
InChIK	VTWSGHVANQNDPO-UHFFFAOYSA-N
TotalMolweight	341.312
Molweight	341.312
MonoisotopicMass	341.044581
CLogP	2.3453
CLogS	-4.228
H Acceptors	5
H Donors	1
TotalSurfaceArea	240.87
Relative PSA	0.33371
PolarSurfaceArea	99.66
Druglikeness	-6.1736
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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1 - N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]pyridine-4-carboxamide | 2 - N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]pyridine-4-carboxamide

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