(3Z,7Z)-3,7-dibenzoyl-4,8-diphenyl-1,5-dioxocine-2,6-dione

Formula:C32H20O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z,7Z)-3,7-dibenzoyl-4,8-diphenyl-1,5-dioxocine-2,6-dione is not a drug-like molecule.

MolName	(3Z,7Z)-3,7-dibenzoyl-4,8-diphenyl-1,5-dioxocine-2,6-dione
MolecularFormula	C32H20O6
Smiles	O=C(c1ccccc1)/C(/C(O/C(/c1ccccc1)=C1/C(c2ccccc2)=O)=O)=C(\c2ccccc2)/OC1=O
InChI	InChI=1S/C32H20O6/c33-27(21-13-5-1-6-14-21)25-29(23-17-9-3-10-18-23)37-32(36)26(28(34)22-15-7-2-8-16-22)30(38-31(25)35)24-19-11-4-12-20-24/h1-20H
InChIK	UQHXGIWCMVBPPZ-UHFFFAOYSA-N
TotalMolweight	500.505
Molweight	500.505
MonoisotopicMass	500.12599
CLogP	5.425
CLogS	-6.376
H Acceptors	6
TotalSurfaceArea	375.88
Relative PSA	0.19198
PolarSurfaceArea	86.74
Druglikeness	-2.3951
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.39474
Fragments	1
Non HAtoms	38
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	23
StereoCon

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