(4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one

Formula:C17H9N2O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
MolecularFormula	C17H9N2O6Cl
Smiles	[O-][N+](c1cccc(C(OC2=O)=N/C2=C\c(cc2OCOc2c2)c2Cl)c1)=O
InChI	InChI=1S/C17H9ClN2O6/c18-12-7-15-14(24-8-25-15)6-10(12)5-13-17(21)26-16(19-13)9-2-1-3-11(4-9)20(22)23/h1-7H,8H2
InChIK	ORIBJCFIJCWANB-UHFFFAOYSA-N
TotalMolweight	372.719
Molweight	372.719
MonoisotopicMass	372.014915
CLogP	2.3876
CLogS	-5.826
H Acceptors	8
TotalSurfaceArea	254.3
Relative PSA	0.33413
PolarSurfaceArea	102.94
Druglikeness	-4.0593
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
AcidicOxygens	1
StereoCon

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