(2E)-2-benzylidene-1-oxo-1-benzothiophen-3-one

Formula:C15H10O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-benzylidene-1-oxo-1-benzothiophen-3-one is a drug-like molecule.

MolName	(2E)-2-benzylidene-1-oxo-1-benzothiophen-3-one
MolecularFormula	C15H10O2S
Smiles	O=C(/C1=C\c2ccccc2)c(cccc2)c2S1=O
InChI	InChI=1S/C15H12O2S/c16-15-12-8-4-5-9-13(12)18(17)14(15)10-11-6-2-1-3-7-11/h1-10H,18H2
InChIK	OFNSSSGQHZWPGP-UHFFFAOYSA-N
TotalMolweight	254.308
Molweight	254.308
MonoisotopicMass	254.04015
CLogP	2.081
CLogS	-3.499
H Acceptors	2
TotalSurfaceArea	184.7
Relative PSA	0.19361
PolarSurfaceArea	53.35
Druglikeness	0.46112
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	3
Electronegative Atoms	3
StereoCenters	1
Rotatable Bond	1
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon	racemate

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