2-naphthalen-1-yl-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide

Formula:C21H17N3O3 Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-naphthalen-1-yl-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-naphthalen-1-yl-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide
MolecularFormula	C21H17N3O3
Smiles	[O-][N+](c1ccc(/C=C/C=N\NC(Cc2cccc3ccccc23)=O)cc1)=O
InChI	InChI=1S/C21H17N3O3/c25-21(15-18-8-3-7-17-6-1-2-9-20(17)18)23-22-14-4-5-16-10-12-19(13-11-16)24(26)27/h1-14H,15H2,(H,23,25)
InChIK	XSKUFSPOBCFORE-UHFFFAOYSA-N
TotalMolweight	359.384
Molweight	359.384
MonoisotopicMass	359.126992
CLogP	3.4908
CLogS	-6.044
H Acceptors	6
H Donors	1
TotalSurfaceArea	285.52
Relative PSA	0.23266
PolarSurfaceArea	87.28
Druglikeness	-0.72399
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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