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

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

MolName	2-fluoro-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]benzamide
MolecularFormula	C16H12N3O3F
Smiles	[O-][N+](c1ccc(/C=C/C=N\NC(c(cccc2)c2F)=O)cc1)=O
InChI	InChI=1S/C16H12FN3O3/c17-15-6-2-1-5-14(15)16(21)19-18-11-3-4-12-7-9-13(10-8-12)20(22)23/h1-11H,(H,19,21)
InChIK	XFXCWRKEEFTZCB-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	0.69565
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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1 - 2-fluoro-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]benzamide | 2 - 2-fluoro-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]benzamide

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