S-[(2E)-2-(benzenesulfonylimino)-2-(naphthalen-1-ylamino)ethyl] carbamothioate
Formula:C19H17N3O3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
S-[(2E)-2-(benzenesulfonylimino)-2-(naphthalen-1-ylamino)ethyl] carbamothioate is a drug-like molecule.
| MolName | S-[(2E)-2-(benzenesulfonylimino)-2-(naphthalen-1-ylamino)ethyl] carbamothioate |
| MolecularFormula | C19H17N3O3S2 |
| Smiles | NC(SC/C(/Nc1cccc2ccccc12)=N\S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C19H17N3O3S2/c20-19(23)26-13-18(22-27(24,25)15-9-2-1-3-10-15)21-17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H2,20,23)(H,21,22) |
| InChIK | KLGOSFGFMNKWQX-UHFFFAOYSA-N |
| TotalMolweight | 399.494 |
| Molweight | 399.494 |
| MonoisotopicMass | 399.071132 |
| CLogP | 3.1939 |
| CLogS | -5.247 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 288.15 |
| Relative PSA | 0.33784 |
| PolarSurfaceArea | 135.3 |
| Druglikeness | -6.8695 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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