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

Formula:C18H10N3O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-2-(2-chloro-5-nitrophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-2-(2-chloro-5-nitrophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one
MolecularFormula	C18H10N3O6Cl
Smiles	[O-][N+](c(cc1)cc(C(OC2=O)=N/C2=C\C=C\c(cccc2)c2[N+]([O-])=O)c1Cl)=O
InChI	InChI=1S/C18H10ClN3O6/c19-14-9-8-12(21(24)25)10-13(14)17-20-15(18(23)28-17)6-3-5-11-4-1-2-7-16(11)22(26)27/h1-10H
InChIK	GLOLENIRIHBQFG-UHFFFAOYSA-N
TotalMolweight	399.745
Molweight	399.745
MonoisotopicMass	399.025814
CLogP	2.0112
CLogS	-5.887
H Acceptors	9
TotalSurfaceArea	284.21
Relative PSA	0.33563
PolarSurfaceArea	130.3
Druglikeness	-3.7608
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
AcidicOxygens	2
StereoCon

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