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

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

MolName	[4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 4-bromobenzoate
MolecularFormula	C23H14NO4Br
Smiles	O=C(c(cc1)ccc1Br)Oc1ccc(/C=C(/C(c2ccccc2)=NO2)\C2=O)cc1
InChI	InChI=1S/C23H14BrNO4/c24-18-10-8-17(9-11-18)22(26)28-19-12-6-15(7-13-19)14-20-21(25-29-23(20)27)16-4-2-1-3-5-16/h1-14H
InChIK	ZKUISVOJZNRREC-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	0.62069
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	6
StereoCon

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