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

Formula:C16H13N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide is a drug-like molecule.

MolName	N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
MolecularFormula	C16H13N3O3
Smiles	[O-][N+](c1c(/C=C/C=N\NC(c2ccccc2)=O)cccc1)=O
InChI	InChI=1S/C16H13N3O3/c20-16(14-8-2-1-3-9-14)18-17-12-6-10-13-7-4-5-11-15(13)19(21)22/h1-12H,(H,18,20)
InChIK	BKKKPEHMYIZIAM-UHFFFAOYSA-N
TotalMolweight	295.297
Molweight	295.297
MonoisotopicMass	295.095692
CLogP	2.2983
CLogS	-4.473
H Acceptors	6
H Donors	1
TotalSurfaceArea	237.16
Relative PSA	0.28011
PolarSurfaceArea	87.28
Druglikeness	-0.71953
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
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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