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

Formula:C22H14NO2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzoxazol-2-yl)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-2-(1,3-benzoxazol-2-yl)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one
MolecularFormula	C22H14NO2Cl
Smiles	O=C(/C(/c1nc(cccc2)c2o1)=C/c1cccc(Cl)c1)c1ccccc1
InChI	InChI=1S/C22H14ClNO2/c23-17-10-6-7-15(13-17)14-18(21(25)16-8-2-1-3-9-16)22-24-19-11-4-5-12-20(19)26-22/h1-14H
InChIK	WXOHYCQMJQXXRP-UHFFFAOYSA-N
TotalMolweight	359.811
Molweight	359.811
MonoisotopicMass	359.071306
CLogP	5.1479
CLogS	-5.662
H Acceptors	3
TotalSurfaceArea	273.71
Relative PSA	0.13927
PolarSurfaceArea	43.1
Druglikeness	1.2583
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.42308
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	2
Aromatic Nitrogens	1
StereoCon

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