4-fluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide

Formula:C16H12N3O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-fluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide is a drug-like molecule.

MolName	4-fluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
MolecularFormula	C16H12N3O3F
Smiles	[O-][N+](c1c(/C=C/C=N\NC(c(cc2)ccc2F)=O)cccc1)=O
InChI	InChI=1S/C16H12FN3O3/c17-14-9-7-13(8-10-14)16(21)19-18-11-3-5-12-4-1-2-6-15(12)20(22)23/h1-11H,(H,19,21)
InChIK	MNCMPUBUTWAMSL-UHFFFAOYSA-N
TotalMolweight	313.287
Molweight	313.287
MonoisotopicMass	313.08627
CLogP	2.3991
CLogS	-4.787
H Acceptors	6
H Donors	1
TotalSurfaceArea	243.51
Relative PSA	0.2728
PolarSurfaceArea	87.28
Druglikeness	-2.0595
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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