1-amino-2-(benzenesulfonyl)-3-(3-chlorophenyl)guanidine
Formula:C13H13N4O2ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-amino-2-(benzenesulfonyl)-3-(3-chlorophenyl)guanidine is a drug-like molecule.
| MolName | 1-amino-2-(benzenesulfonyl)-3-(3-chlorophenyl)guanidine |
| MolecularFormula | C13H13N4O2ClS |
| Smiles | NN/C(/Nc1cccc(Cl)c1)=N\S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C13H13ClN4O2S/c14-10-5-4-6-11(9-10)16-13(17-15)18-21(19,20)12-7-2-1-3-8-12/h1-9H,15H2,(H2,16,17,18) |
| InChIK | IBKFZEZREASRQP-UHFFFAOYSA-N |
| TotalMolweight | 324.791 |
| Molweight | 324.791 |
| MonoisotopicMass | 324.044773 |
| CLogP | 1.7853 |
| CLogS | -4.326 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 231.43 |
| Relative PSA | 0.33824 |
| PolarSurfaceArea | 104.96 |
| Druglikeness | -8.6941 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.57143 |
| 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 | 2 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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