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

Formula:C16H12N3O4F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(4-nitrophenyl)-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]acetamide is a drug-like molecule.

MolName	2-(4-nitrophenyl)-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]acetamide
MolecularFormula	C16H12N3O4F3S
Smiles	[O-][N+](c1ccc(CC(N/N=C(/CC(c2cccs2)=O)\C(F)(F)F)=O)cc1)=O
InChI	InChI=1S/C16H12F3N3O4S/c17-16(18,19)14(9-12(23)13-2-1-7-27-13)20-21-15(24)8-10-3-5-11(6-4-10)22(25)26/h1-7H,8-9H2,(H,21,24)
InChIK	RXFFCLQVYXWTLQ-UHFFFAOYSA-N
TotalMolweight	399.348
Molweight	399.348
MonoisotopicMass	399.050061
CLogP	2.4227
CLogS	-5.448
H Acceptors	7
H Donors	1
TotalSurfaceArea	279.54
Relative PSA	0.35712
PolarSurfaceArea	132.59
Druglikeness	-11.052
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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