(Z)-4-(4-chlorophenyl)-1,2-diphenylbut-2-ene-1,4-dione

Formula:C22H15O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-(4-chlorophenyl)-1,2-diphenylbut-2-ene-1,4-dione is a drug-like molecule.

MolName	(Z)-4-(4-chlorophenyl)-1,2-diphenylbut-2-ene-1,4-dione
MolecularFormula	C22H15O2Cl
Smiles	O=C(/C=C(\C(c1ccccc1)=O)/c1ccccc1)c(cc1)ccc1Cl
InChI	InChI=1S/C22H15ClO2/c23-19-13-11-17(12-14-19)21(24)15-20(16-7-3-1-4-8-16)22(25)18-9-5-2-6-10-18/h1-15H
InChIK	PNZSYMGEZQXESH-UHFFFAOYSA-N
TotalMolweight	346.812
Molweight	346.812
MonoisotopicMass	346.076057
CLogP	4.6838
CLogS	-5.621
H Acceptors	2
TotalSurfaceArea	268.41
Relative PSA	0.097165
PolarSurfaceArea	34.14
Druglikeness	1.1018
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
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	6
StereoCon

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