(E)-2-(1,3-benzoxazol-2-yl)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one

Formula:C22H14NO2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzoxazol-2-yl)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-2-(1,3-benzoxazol-2-yl)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one
MolecularFormula	C22H14NO2Br
Smiles	O=C(/C(/c1nc(cccc2)c2o1)=C/c(cc1)ccc1Br)c1ccccc1
InChI	InChI=1S/C22H14BrNO2/c23-17-12-10-15(11-13-17)14-18(21(25)16-6-2-1-3-7-16)22-24-19-8-4-5-9-20(19)26-22/h1-14H
InChIK	UYIQPTKVJOCHOT-UHFFFAOYSA-N
TotalMolweight	404.262
Molweight	404.262
MonoisotopicMass	403.02079
CLogP	5.2671
CLogS	-5.76
H Acceptors	3
TotalSurfaceArea	276.92
Relative PSA	0.13766
PolarSurfaceArea	43.1
Druglikeness	-0.61243
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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