(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-nitrophenyl)-1,3-oxazol-5-one

Formula:C17H10N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-nitrophenyl)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-nitrophenyl)-1,3-oxazol-5-one
MolecularFormula	C17H10N2O6
Smiles	[O-][N+](c1cc(C(OC2=O)=N/C2=C\c(cc2)cc3c2OCO3)ccc1)=O
InChI	InChI=1S/C17H10N2O6/c20-17-13(6-10-4-5-14-15(7-10)24-9-23-14)18-16(25-17)11-2-1-3-12(8-11)19(21)22/h1-8H,9H2
InChIK	GAEGSIBZVNWECD-UHFFFAOYSA-N
TotalMolweight	338.274
Molweight	338.274
MonoisotopicMass	338.053888
CLogP	1.7816
CLogS	-5.09
H Acceptors	8
TotalSurfaceArea	238.88
Relative PSA	0.3557
PolarSurfaceArea	102.94
Druglikeness	-4.1594
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
AcidicOxygens	1
StereoCon

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