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C17H11NO3Cl2S | Cheminformatics
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(E)-2-(2,4-dichlorophenyl)sulfonyl-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile

Molecular Formula : C17H11NO3Cl2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-2-(2,4-dichlorophenyl)sulfonyl-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile is a drug-like molecule.

MolName : (E)-2-(2,4-dichlorophenyl)sulfonyl-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile

MolecularFormula : C17H11NO3Cl2S

Smiles : N#C/C(/S(c(ccc(Cl)c1)c1Cl)(=O)=O)=C\c(cc1)cc2c1OCC2

InChI : InChI=1S/C17H11Cl2NO3S/c18-13-2-4-17(15(19)9-13)24(21,22)14(10-20)8-11-1-3-16-12(7-11)5-6-23-16/h1-4,7-9H,5-6H2

InChIK : GAOGWKPHPDGMFG-UHFFFAOYSA-N

TotalMolweight : 380.25

Molweight : 380.25

MonoisotopicMass : 378.983668

CLogP : 3.8473

CLogS : -6.082

H Acceptors : 4

TotalSurfaceArea : 262.88

Relative PSA : 0.19834

PolarSurfaceArea : 75.54

Druglikeness : -2.6773

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.54167

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 4

Symmetricatoms : 1

StereoCon :

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1 - (E)-2-(2,4-dichlorophenyl)sulfonyl-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile
2 - (E)-2-(2,4-dichlorophenyl)sulfonyl-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile
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