4-chloro-N'-(3,4-dichlorophenyl)sulfonylbenzenecarboximidamide
Formula:C13H9N2O2Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N'-(3,4-dichlorophenyl)sulfonylbenzenecarboximidamide is a drug-like molecule.
| MolName | 4-chloro-N'-(3,4-dichlorophenyl)sulfonylbenzenecarboximidamide |
| MolecularFormula | C13H9N2O2Cl3S |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/S(c(cc1)cc(Cl)c1Cl)(=O)=O |
| InChI | InChI=1S/C13H9Cl3N2O2S/c14-9-3-1-8(2-4-9)13(17)18-21(19,20)10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18) |
| InChIK | YACCUBUCBXFJCE-UHFFFAOYSA-N |
| TotalMolweight | 363.651 |
| Molweight | 363.651 |
| MonoisotopicMass | 361.945029 |
| CLogP | 3.7675 |
| CLogS | -5.005 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 239.35 |
| Relative PSA | 0.23129 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 1.2865 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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