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

Formula:C23H14NO4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 2-bromobenzoate is a drug-like molecule.

MolName	[4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 2-bromobenzoate
MolecularFormula	C23H14NO4Br
Smiles	O=C(c(cccc1)c1Br)Oc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1
InChI	InChI=1S/C23H14BrNO4/c24-19-9-5-4-8-18(19)22(26)28-17-12-10-15(11-13-17)14-20-23(27)29-21(25-20)16-6-2-1-3-7-16/h1-14H
InChIK	CIPAQZSLGMKRNY-UHFFFAOYSA-N
TotalMolweight	448.271
Molweight	448.271
MonoisotopicMass	447.01062
CLogP	4.7475
CLogS	-6.223
H Acceptors	5
TotalSurfaceArea	301.09
Relative PSA	0.19127
PolarSurfaceArea	64.96
Druglikeness	-0.95291
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
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	4
StereoCon

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