(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one

Formula:C17H11NO4 Mutagenic:high Tumorigenic:none Reproductive Effective:high (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one is a drug-like molecule.

MolName	(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one
MolecularFormula	C17H11NO4
Smiles	O=C(/C1=C/c(cc2)cc3c2OCO3)ON=C1c1ccccc1
InChI	InChI=1S/C17H11NO4/c19-17-13(16(18-22-17)12-4-2-1-3-5-12)8-11-6-7-14-15(9-11)21-10-20-14/h1-9H,10H2
InChIK	HXPYADVNHOGEER-UHFFFAOYSA-N
TotalMolweight	293.277
Molweight	293.277
MonoisotopicMass	293.068809
CLogP	3.9021
CLogS	-4.882
H Acceptors	5
TotalSurfaceArea	215.21
Relative PSA	0.25347
PolarSurfaceArea	57.12
Druglikeness	-1.3226
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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