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

Formula:C22H13NO2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzoxazol-2-yl)-3-(2,4-dichlorophenyl)-1-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-2-(1,3-benzoxazol-2-yl)-3-(2,4-dichlorophenyl)-1-phenylprop-2-en-1-one
MolecularFormula	C22H13NO2Cl2
Smiles	O=C(/C(/c1nc(cccc2)c2o1)=C/c(ccc(Cl)c1)c1Cl)c1ccccc1
InChI	InChI=1S/C22H13Cl2NO2/c23-16-11-10-15(18(24)13-16)12-17(21(26)14-6-2-1-3-7-14)22-25-19-8-4-5-9-20(19)27-22/h1-13H
InChIK	FCPZPDQOISMPOS-UHFFFAOYSA-N
TotalMolweight	394.256
Molweight	394.256
MonoisotopicMass	393.032333
CLogP	5.7539
CLogS	-6.398
H Acceptors	3
TotalSurfaceArea	289.13
Relative PSA	0.13184
PolarSurfaceArea	43.1
Druglikeness	1.2583
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
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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