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

Formula:C17H10NO4Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-1,3-oxazol-5-one
MolecularFormula	C17H10NO4Br
Smiles	O=C1OC(c(cc2)ccc2Br)=N/C1=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C17H10BrNO4/c18-12-4-2-11(3-5-12)16-19-13(17(20)23-16)7-10-1-6-14-15(8-10)22-9-21-14/h1-8H,9H2
InChIK	QGUATBJTUDYXDL-UHFFFAOYSA-N
TotalMolweight	372.173
Molweight	372.173
MonoisotopicMass	370.97932
CLogP	3.4284
CLogS	-5.464
H Acceptors	5
TotalSurfaceArea	233.84
Relative PSA	0.23328
PolarSurfaceArea	57.12
Druglikeness	-0.95128
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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