(E)-3-[3,4-bis(phenylmethoxy)phenyl]-1-(4-bromophenyl)prop-2-en-1-one

Formula:C29H23O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3,4-bis(phenylmethoxy)phenyl]-1-(4-bromophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[3,4-bis(phenylmethoxy)phenyl]-1-(4-bromophenyl)prop-2-en-1-one
MolecularFormula	C29H23O3Br
Smiles	O=C(/C=C/c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1)c(cc1)ccc1Br
InChI	InChI=1S/C29H23BrO3/c30-26-15-13-25(14-16-26)27(31)17-11-22-12-18-28(32-20-23-7-3-1-4-8-23)29(19-22)33-21-24-9-5-2-6-10-24/h1-19H,20-21H2
InChIK	NAULUXWQBCUJOE-UHFFFAOYSA-N
TotalMolweight	499.403
Molweight	499.403
MonoisotopicMass	498.083056
CLogP	6.7252
CLogS	-7.356
H Acceptors	3
TotalSurfaceArea	362.94
Relative PSA	0.091034
PolarSurfaceArea	35.53
Druglikeness	-1.9275
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	6
StereoCon

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