(4Z)-2-naphthalen-1-yl-4-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one

Formula:C22H14N2O4 Mutagenic:low Tumorigenic:high Reproductive Effective:none (4Z)-2-naphthalen-1-yl-4-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-2-naphthalen-1-yl-4-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one
MolecularFormula	C22H14N2O4
Smiles	[O-][N+](c1c(/C=C/C=C2\N=C(c3cccc4ccccc34)OC2=O)cccc1)=O
InChI	InChI=1S/C22H14N2O4/c25-22-19(13-6-10-16-8-2-4-14-20(16)24(26)27)23-21(28-22)18-12-5-9-15-7-1-3-11-17(15)18/h1-14H
InChIK	XEBNWLHMSAGHMD-UHFFFAOYSA-N
TotalMolweight	370.363
Molweight	370.363
MonoisotopicMass	370.095358
CLogP	3.5212
CLogS	-6.297
H Acceptors	6
TotalSurfaceArea	279.72
Relative PSA	0.23227
PolarSurfaceArea	84.48
Druglikeness	-3.8577
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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