(1E,6E)-4-(1,3-dithiolan-2-ylidene)-1,7-diphenylhepta-1,6-diene-3,5-dione

Formula:C22H18O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E,6E)-4-(1,3-dithiolan-2-ylidene)-1,7-diphenylhepta-1,6-diene-3,5-dione is not a drug-like molecule.

MolName	(1E,6E)-4-(1,3-dithiolan-2-ylidene)-1,7-diphenylhepta-1,6-diene-3,5-dione
MolecularFormula	C22H18O2S2
Smiles	O=C(/C=C/c1ccccc1)C(C(/C=C/c1ccccc1)=O)=C1SCCS1
InChI	InChI=1S/C22H18O2S2/c23-19(13-11-17-7-3-1-4-8-17)21(22-25-15-16-26-22)20(24)14-12-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIK	IIFGOXJKXNFCLT-UHFFFAOYSA-N
TotalMolweight	378.515
Molweight	378.515
MonoisotopicMass	378.07482
CLogP	5.5272
CLogS	-5.239
H Acceptors	2
TotalSurfaceArea	293.44
Relative PSA	0.20808
PolarSurfaceArea	84.74
Druglikeness	-2.5666
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	14
StereoCon

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