[4-[(Z)-[3-(4-chlorophenyl)-5-oxo-1,2-oxazol-4-ylidene]methyl]phenyl] 2-bromobenzoate

Formula:C23H13NO4BrCl Mutagenic:high Tumorigenic:none Reproductive Effective:high [4-[(Z)-[3-(4-chlorophenyl)-5-oxo-1,2-oxazol-4-ylidene]methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[3-(4-chlorophenyl)-5-oxo-1,2-oxazol-4-ylidene]methyl]phenyl] 2-bromobenzoate
MolecularFormula	C23H13NO4BrCl
Smiles	O=C(c(cccc1)c1Br)Oc1ccc(/C=C(/C(c(cc2)ccc2Cl)=NO2)\C2=O)cc1
InChI	InChI=1S/C23H13BrClNO4/c24-20-4-2-1-3-18(20)22(27)29-17-11-5-14(6-12-17)13-19-21(26-30-23(19)28)15-7-9-16(25)10-8-15/h1-13H
InChIK	FKYXIGKFJWHECU-UHFFFAOYSA-N
TotalMolweight	482.716
Molweight	482.716
MonoisotopicMass	480.971647
CLogP	6.5524
CLogS	-7.211
H Acceptors	5
TotalSurfaceArea	316.51
Relative PSA	0.18195
PolarSurfaceArea	64.96
Druglikeness	-2.9652
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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1 - [4-[(Z)-[3-(4-chlorophenyl)-5-oxo-1,2-oxazol-4-ylidene]methyl]phenyl] 2-bromobenzoate | 2 - [4-[(Z)-[3-(4-chlorophenyl)-5-oxo-1,2-oxazol-4-ylidene]methyl]phenyl] 2-bromobenzoate

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