(E)-1,4-bis(4-phenylphenyl)but-2-ene-1,4-dione

Formula:C28H20O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,4-bis(4-phenylphenyl)but-2-ene-1,4-dione is not a drug-like molecule.

MolName	(E)-1,4-bis(4-phenylphenyl)but-2-ene-1,4-dione
MolecularFormula	C28H20O2
Smiles	O=C(/C=C/C(c(cc1)ccc1-c1ccccc1)=O)c(cc1)ccc1-c1ccccc1
InChI	InChI=1S/C28H20O2/c29-27(25-15-11-23(12-16-25)21-7-3-1-4-8-21)19-20-28(30)26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-20H
InChIK	CQZZYISGFXTAEO-UHFFFAOYSA-N
TotalMolweight	388.465
Molweight	388.465
MonoisotopicMass	388.14633
CLogP	6.0594
CLogS	-8.1
H Acceptors	2
TotalSurfaceArea	314.54
Relative PSA	0.082915
PolarSurfaceArea	34.14
Druglikeness	0.26454
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Symmetricatoms	19
StereoCon

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