[4-bromo-2-[(Z)-[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Formula:C24H13N2O8Br Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C24H13N2O8Br
Smiles	[O-][N+](c(cc1)ccc1C(OC1=O)=N/C1=C\c(cc(cc1)Br)c1OC(c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C24H13BrN2O8/c25-16-4-8-19(34-23(28)14-3-7-20-21(11-14)33-12-32-20)15(9-16)10-18-24(29)35-22(26-18)13-1-5-17(6-2-13)27(30)31/h1-11H,12H2
InChIK	QUIVVEQZUWQKBT-UHFFFAOYSA-N
TotalMolweight	537.277
Molweight	537.277
MonoisotopicMass	535.985529
CLogP	3.9373
CLogS	-7.394
H Acceptors	10
TotalSurfaceArea	345.02
Relative PSA	0.31305
PolarSurfaceArea	129.24
Druglikeness	-5.9494
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - [4-bromo-2-[(Z)-[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate | 2 - [4-bromo-2-[(Z)-[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

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