(4Z)-4-(1,4-benzodioxin-3-ylmethylidene)-3-(2-chlorophenyl)-1,2-oxazol-5-one

Formula:C18H10NO4Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none (4Z)-4-(1,4-benzodioxin-3-ylmethylidene)-3-(2-chlorophenyl)-1,2-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-4-(1,4-benzodioxin-3-ylmethylidene)-3-(2-chlorophenyl)-1,2-oxazol-5-one
MolecularFormula	C18H10NO4Cl
Smiles	O=C(/C1=C\C2=COc(cccc3)c3O2)ON=C1c(cccc1)c1Cl
InChI	InChI=1S/C18H10ClNO4/c19-14-6-2-1-5-12(14)17-13(18(21)24-20-17)9-11-10-22-15-7-3-4-8-16(15)23-11/h1-10H
InChIK	JFOWYJBWQKOFMV-UHFFFAOYSA-N
TotalMolweight	339.733
Molweight	339.733
MonoisotopicMass	339.029836
CLogP	4.351
CLogS	-5.425
H Acceptors	5
TotalSurfaceArea	241.58
Relative PSA	0.22581
PolarSurfaceArea	57.12
Druglikeness	-1.399
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
StereoCon

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