(E)-3-(3-bromophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine

Formula:C22H14N2OBrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-bromophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine is not a drug-like molecule.

MolName	(E)-3-(3-bromophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
MolecularFormula	C22H14N2OBrCl
Smiles	Clc(cc1)ccc1-c1nc(cc(cc2)/N=C/C=C/c3cccc(Br)c3)c2o1
InChI	InChI=1S/C22H14BrClN2O/c23-17-5-1-3-15(13-17)4-2-12-25-19-10-11-21-20(14-19)26-22(27-21)16-6-8-18(24)9-7-16/h1-14H
InChIK	ZPTKRPYBZLHYHB-UHFFFAOYSA-N
TotalMolweight	437.723
Molweight	437.723
MonoisotopicMass	435.997801
CLogP	6.0377
CLogS	-8.01
H Acceptors	3
TotalSurfaceArea	301.14
Relative PSA	0.1215
PolarSurfaceArea	38.39
Druglikeness	-1.69
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.66667
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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