(E)-3-(1-benzofuran-2-yl)-2-(4-chlorophenyl)sulfonylprop-2-enenitrile

Formula:C17H10NO3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1-benzofuran-2-yl)-2-(4-chlorophenyl)sulfonylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(1-benzofuran-2-yl)-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
MolecularFormula	C17H10NO3ClS
Smiles	N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=C\c1cc(cccc2)c2o1
InChI	InChI=1S/C17H10ClNO3S/c18-13-5-7-15(8-6-13)23(20,21)16(11-19)10-14-9-12-3-1-2-4-17(12)22-14/h1-10H
InChIK	KXUAXHRVSGHSHT-UHFFFAOYSA-N
TotalMolweight	343.789
Molweight	343.789
MonoisotopicMass	343.006991
CLogP	3.5211
CLogS	-6.162
H Acceptors	4
TotalSurfaceArea	247.73
Relative PSA	0.22706
PolarSurfaceArea	79.45
Druglikeness	-2.5303
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Symmetricatoms	3
StereoCon

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