(E)-3-(2,6-dichlorophenyl)-2-thiophen-2-ylsulfonylprop-2-enenitrile

Formula:C13H7NO2Cl2S2 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2,6-dichlorophenyl)-2-thiophen-2-ylsulfonylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(2,6-dichlorophenyl)-2-thiophen-2-ylsulfonylprop-2-enenitrile
MolecularFormula	C13H7NO2Cl2S2
Smiles	N#C/C(/S(c1cccs1)(=O)=O)=C\c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C13H7Cl2NO2S2/c14-11-3-1-4-12(15)10(11)7-9(8-16)20(17,18)13-5-2-6-19-13/h1-7H
InChIK	VYLWLUCWSVWEKV-UHFFFAOYSA-N
TotalMolweight	344.242
Molweight	344.242
MonoisotopicMass	342.929523
CLogP	3.6106
CLogS	-5.632
H Acceptors	3
TotalSurfaceArea	234.8
Relative PSA	0.26618
PolarSurfaceArea	94.55
Druglikeness	-3.4592
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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