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

Formula:C23H20O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E,6E)-2-(1,3-dithian-2-ylidene)-1,7-diphenylhepta-4,6-diene-1,3-dione is not a drug-like molecule.

MolName	(4E,6E)-2-(1,3-dithian-2-ylidene)-1,7-diphenylhepta-4,6-diene-1,3-dione
MolecularFormula	C23H20O2S2
Smiles	O=C(/C=C/C=C/c1ccccc1)C(C(c1ccccc1)=O)=C1SCCCS1
InChI	InChI=1S/C23H20O2S2/c24-20(15-8-7-12-18-10-3-1-4-11-18)21(23-26-16-9-17-27-23)22(25)19-13-5-2-6-14-19/h1-8,10-15H,9,16-17H2
InChIK	VFYROLLZNLLCGK-UHFFFAOYSA-N
TotalMolweight	392.542
Molweight	392.542
MonoisotopicMass	392.09047
CLogP	5.905
CLogS	-5.675
H Acceptors	2
TotalSurfaceArea	307.2
Relative PSA	0.19876
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	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	6
StereoCon

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