2-[(Z)-N'-(benzenesulfonyl)-N-(3-chlorophenyl)carbamimidoyl]sulfanylacetic acid
Formula:C15H13N2O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-N'-(benzenesulfonyl)-N-(3-chlorophenyl)carbamimidoyl]sulfanylacetic acid is a drug-like molecule.
| MolName | 2-[(Z)-N'-(benzenesulfonyl)-N-(3-chlorophenyl)carbamimidoyl]sulfanylacetic acid |
| MolecularFormula | C15H13N2O4ClS2 |
| Smiles | OC(CS/C(/Nc1cccc(Cl)c1)=N\S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C15H13ClN2O4S2/c16-11-5-4-6-12(9-11)17-15(23-10-14(19)20)18-24(21,22)13-7-2-1-3-8-13/h1-9H,10H2,(H,17,18)(H,19,20) |
| InChIK | HJIBJAMQFWZPNG-UHFFFAOYSA-N |
| TotalMolweight | 384.863 |
| Molweight | 384.863 |
| MonoisotopicMass | 384.000525 |
| CLogP | 2.7052 |
| CLogS | -4.301 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 266.8 |
| Relative PSA | 0.35675 |
| PolarSurfaceArea | 129.51 |
| Druglikeness | -5.5091 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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