(1E,3E,8E,10E)-6-(1,3-dithiolan-2-ylidene)-1,11-diphenylundeca-1,3,8,10-tetraene-5,7-dione

Formula:C26H22O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E,3E,8E,10E)-6-(1,3-dithiolan-2-ylidene)-1,11-diphenylundeca-1,3,8,10-tetraene-5,7-dione is not a drug-like molecule.

MolName	(1E,3E,8E,10E)-6-(1,3-dithiolan-2-ylidene)-1,11-diphenylundeca-1,3,8,10-tetraene-5,7-dione
MolecularFormula	C26H22O2S2
Smiles	O=C(/C=C/C=C/c1ccccc1)C(C(/C=C/C=C/c1ccccc1)=O)=C1SCCS1
InChI	InChI=1S/C26H22O2S2/c27-23(17-9-7-15-21-11-3-1-4-12-21)25(26-29-19-20-30-26)24(28)18-10-8-16-22-13-5-2-6-14-22/h1-18H,19-20H2
InChIK	OVOLHPLRXFFCOQ-UHFFFAOYSA-N
TotalMolweight	430.591
Molweight	430.591
MonoisotopicMass	430.10612
CLogP	6.8404
CLogS	-5.863
H Acceptors	2
TotalSurfaceArea	346.44
Relative PSA	0.17625
PolarSurfaceArea	84.74
Druglikeness	-2.3792
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	16
StereoCon

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1 - (1E,3E,8E,10E)-6-(1,3-dithiolan-2-ylidene)-1,11-diphenylundeca-1,3,8,10-tetraene-5,7-dione | 2 - (1E,3E,8E,10E)-6-(1,3-dithiolan-2-ylidene)-1,11-diphenylundeca-1,3,8,10-tetraene-5,7-dione

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