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

Formula:C18H11N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-2-(3-nitrophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-2-(3-nitrophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one
MolecularFormula	C18H11N3O6
Smiles	[O-][N+](c1cccc(C(OC2=O)=N/C2=C\C=C\c(cccc2)c2[N+]([O-])=O)c1)=O
InChI	InChI=1S/C18H11N3O6/c22-18-15(9-4-6-12-5-1-2-10-16(12)21(25)26)19-17(27-18)13-7-3-8-14(11-13)20(23)24/h1-11H
InChIK	PXILRSPCRIXGFL-UHFFFAOYSA-N
TotalMolweight	365.3
Molweight	365.3
MonoisotopicMass	365.064787
CLogP	1.4052
CLogS	-5.151
H Acceptors	9
TotalSurfaceArea	268.79
Relative PSA	0.35489
PolarSurfaceArea	130.3
Druglikeness	-3.8577
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
AcidicOxygens	2
StereoCon

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