(E)-2-(benzenesulfonyl)-3-(2,5-dichlorothiophen-3-yl)prop-2-enenitrile

Formula:C13H7NO2Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(benzenesulfonyl)-3-(2,5-dichlorothiophen-3-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(benzenesulfonyl)-3-(2,5-dichlorothiophen-3-yl)prop-2-enenitrile
MolecularFormula	C13H7NO2Cl2S2
Smiles	N#C/C(/S(c1ccccc1)(=O)=O)=C\c(cc(s1)Cl)c1Cl
InChI	InChI=1S/C13H7Cl2NO2S2/c14-12-7-9(13(15)19-12)6-11(8-16)20(17,18)10-4-2-1-3-5-10/h1-7H
InChIK	KXMLHPLOOFYXCT-UHFFFAOYSA-N
TotalMolweight	344.242
Molweight	344.242
MonoisotopicMass	342.929523
CLogP	3.8153
CLogS	-5.649
H Acceptors	3
TotalSurfaceArea	234.8
Relative PSA	0.26618
PolarSurfaceArea	94.55
Druglikeness	-12.311
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55
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	3
StereoCon

Click to Load Molecule:

1 - (E)-2-(benzenesulfonyl)-3-(2,5-dichlorothiophen-3-yl)prop-2-enenitrile | 2 - (E)-2-(benzenesulfonyl)-3-(2,5-dichlorothiophen-3-yl)prop-2-enenitrile

Request More Details | (E)-2-(benzenesulfonyl)-3-(2,5-dichlorothiophen-3-yl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments