(4E)-2-[(E)-2-(4-nitrophenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one

Formula:C17H11N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-[(E)-2-(4-nitrophenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-[(E)-2-(4-nitrophenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
MolecularFormula	C17H11N3O4
Smiles	[O-][N+](c1ccc(/C=C/C(OC2=O)=N/C2=C/c2cnccc2)cc1)=O
InChI	InChI=1S/C17H11N3O4/c21-17-15(10-13-2-1-9-18-11-13)19-16(24-17)8-5-12-3-6-14(7-4-12)20(22)23/h1-11H
InChIK	ADKGNLRRYBXXRV-UHFFFAOYSA-N
TotalMolweight	321.291
Molweight	321.291
MonoisotopicMass	321.074957
CLogP	1.0238
CLogS	-3.954
H Acceptors	7
TotalSurfaceArea	243.88
Relative PSA	0.31138
PolarSurfaceArea	97.37
Druglikeness	-4.0981
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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