2-hydroxy-4,5-bis[(E)-3-phenylprop-2-enyl]cyclohexa-2,5-dien-1-one

Formula:C24H22O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-hydroxy-4,5-bis[(E)-3-phenylprop-2-enyl]cyclohexa-2,5-dien-1-one is not a drug-like molecule.

MolName	2-hydroxy-4,5-bis[(E)-3-phenylprop-2-enyl]cyclohexa-2,5-dien-1-one
MolecularFormula	C24H22O2
Smiles	OC1=CC(C/C=C/c2ccccc2)C(C/C=C/c2ccccc2)=CC1=O
InChI	InChI=1S/C24H22O2/c25-23-17-21(15-7-13-19-9-3-1-4-10-19)22(18-24(23)26)16-8-14-20-11-5-2-6-12-20/h1-14,17-18,21,25H,15-16H2/t21-/m1/s1
InChIK	NZUFPIPKHUZFPI-OAQYLSRUSA-N
TotalMolweight	342.437
Molweight	342.437
MonoisotopicMass	342.16198
CLogP	5.4573
CLogS	-5.181
H Acceptors	2
H Donors	1
TotalSurfaceArea	286.06
Relative PSA	0.091379
PolarSurfaceArea	37.3
Druglikeness	-0.062204
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	2
Electronegative Atoms	2
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
StereoCon	racemate

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