(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzenecarboximidoyl chloride
Molecular Formula : C15H12NO4ClS | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzenecarboximidoyl chloride is a drug-like molecule.
MolName : (E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzenecarboximidoyl chloride |
MolecularFormula : C15H12NO4ClS |
Smiles : O=S(c(cc1)cc2c1OCCO2)(/N=C(\c1ccccc1)/Cl)=O |
InChI : InChI=1S/C15H12ClNO4S/c16-15(11-4-2-1-3-5-11)17-22(18,19)12-6-7-13-14(10-12)21-9-8-20-13/h1-7,10H,8-9H2 |
InChIK : IHVBYDJTUSGCBT-UHFFFAOYSA-N |
TotalMolweight : 337.782 |
Molweight : 337.782 |
MonoisotopicMass : 337.017556 |
CLogP : 2.7642 |
CLogS : -4.236 |
H Acceptors : 5 |
TotalSurfaceArea : 234.01 |
Relative PSA : 0.25678 |
PolarSurfaceArea : 73.34 |
Druglikeness : -8.7787 |
Mutagenic : high |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-halogenide type; allyl/benzyl chloride |
Shape Index : 0.59091 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 3 |
BasicNitrogens : 1 |
StereoCon : |