(E)-1-[3-(benzylideneamino)phenyl]-3-(4-bromophenyl)prop-2-en-1-one

Formula:C22H16NOBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[3-(benzylideneamino)phenyl]-3-(4-bromophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[3-(benzylideneamino)phenyl]-3-(4-bromophenyl)prop-2-en-1-one
MolecularFormula	C22H16NOBr
Smiles	O=C(/C=C/c(cc1)ccc1Br)c1cc(/N=C/c2ccccc2)ccc1
InChI	InChI=1S/C22H16BrNO/c23-20-12-9-17(10-13-20)11-14-22(25)19-7-4-8-21(15-19)24-16-18-5-2-1-3-6-18/h1-16H
InChIK	LUADPJPWIFOKLC-UHFFFAOYSA-N
TotalMolweight	390.279
Molweight	390.279
MonoisotopicMass	389.041525
CLogP	5.4028
CLogS	-6.216
H Acceptors	2
TotalSurfaceArea	280.42
Relative PSA	0.087547
PolarSurfaceArea	29.43
Druglikeness	-0.59356
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	4
StereoCon

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