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

Formula:C23H14NO4Br Mutagenic:high Tumorigenic:none Reproductive Effective:high [4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 2-bromobenzoate
MolecularFormula	C23H14NO4Br
Smiles	O=C(c(cccc1)c1Br)Oc1ccc(/C=C(/C(c2ccccc2)=NO2)\C2=O)cc1
InChI	InChI=1S/C23H14BrNO4/c24-20-9-5-4-8-18(20)22(26)28-17-12-10-15(11-13-17)14-19-21(25-29-23(19)27)16-6-2-1-3-7-16/h1-14H
InChIK	OIGMGGFEPVJKJE-UHFFFAOYSA-N
TotalMolweight	448.271
Molweight	448.271
MonoisotopicMass	447.01062
CLogP	5.9464
CLogS	-6.475
H Acceptors	5
TotalSurfaceArea	301.09
Relative PSA	0.19127
PolarSurfaceArea	64.96
Druglikeness	-3.0453
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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