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

Formula:C29H23O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2,4-bis(phenylmethoxy)phenyl]-3-(4-chlorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[2,4-bis(phenylmethoxy)phenyl]-3-(4-chlorophenyl)prop-2-en-1-one
MolecularFormula	C29H23O3Cl
Smiles	O=C(/C=C/c(cc1)ccc1Cl)c(ccc(OCc1ccccc1)c1)c1OCc1ccccc1
InChI	InChI=1S/C29H23ClO3/c30-25-14-11-22(12-15-25)13-18-28(31)27-17-16-26(32-20-23-7-3-1-4-8-23)19-29(27)33-21-24-9-5-2-6-10-24/h1-19H,20-21H2
InChIK	PUVXQDUTIOUNKW-UHFFFAOYSA-N
TotalMolweight	454.952
Molweight	454.952
MonoisotopicMass	454.133572
CLogP	6.606
CLogS	-7.258
H Acceptors	3
TotalSurfaceArea	359.73
Relative PSA	0.091847
PolarSurfaceArea	35.53
Druglikeness	-0.033854
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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