(E)-4-(2-hydroxyphenyl)-1,1-diphenylbut-3-en-2-one

Formula:C22H18O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-(2-hydroxyphenyl)-1,1-diphenylbut-3-en-2-one is a drug-like molecule.

MolName	(E)-4-(2-hydroxyphenyl)-1,1-diphenylbut-3-en-2-one
MolecularFormula	C22H18O2
Smiles	Oc1c(/C=C/C(C(c2ccccc2)c2ccccc2)=O)cccc1
InChI	InChI=1S/C22H18O2/c23-20-14-8-7-9-17(20)15-16-21(24)22(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-16,22-23H
InChIK	OUNXYUNDPLNWDU-UHFFFAOYSA-N
TotalMolweight	314.383
Molweight	314.383
MonoisotopicMass	314.13068
CLogP	4.7754
CLogS	-4.434
H Acceptors	2
H Donors	1
TotalSurfaceArea	255.88
Relative PSA	0.10216
PolarSurfaceArea	37.3
Druglikeness	0.76
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	8
StereoCon

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