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

Formula:C27H24O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E,3E,8E,10E)-6-(1,3-dithian-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-dithian-2-ylidene)-1,11-diphenylundeca-1,3,8,10-tetraene-5,7-dione
MolecularFormula	C27H24O2S2
Smiles	O=C(/C=C/C=C/c1ccccc1)C(C(/C=C/C=C/c1ccccc1)=O)=C1SCCCS1
InChI	InChI=1S/C27H24O2S2/c28-24(18-9-7-16-22-12-3-1-4-13-22)26(27-30-20-11-21-31-27)25(29)19-10-8-17-23-14-5-2-6-15-23/h1-10,12-19H,11,20-21H2
InChIK	WDGPLMWZJKVASP-UHFFFAOYSA-N
TotalMolweight	444.618
Molweight	444.618
MonoisotopicMass	444.12177
CLogP	7.1824
CLogS	-6.133
H Acceptors	2
TotalSurfaceArea	360.2
Relative PSA	0.16952
PolarSurfaceArea	84.74
Druglikeness	1.6686
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	16
StereoCon

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

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