S-[(2E)-2-(4-chlorophenyl)sulfonylimino-2-(naphthalen-1-ylamino)ethyl] carbamothioate
Formula:C19H16N3O3ClS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
S-[(2E)-2-(4-chlorophenyl)sulfonylimino-2-(naphthalen-1-ylamino)ethyl] carbamothioate is a drug-like molecule.
| MolName | S-[(2E)-2-(4-chlorophenyl)sulfonylimino-2-(naphthalen-1-ylamino)ethyl] carbamothioate |
| MolecularFormula | C19H16N3O3ClS2 |
| Smiles | NC(SC/C(/Nc1cccc2ccccc12)=N\S(c(cc1)ccc1Cl)(=O)=O)=O |
| InChI | InChI=1S/C19H16ClN3O3S2/c20-14-8-10-15(11-9-14)28(25,26)23-18(12-27-19(21)24)22-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H2,21,24)(H,22,23) |
| InChIK | FJZIYQPDHGDETR-UHFFFAOYSA-N |
| TotalMolweight | 433.939 |
| Molweight | 433.939 |
| MonoisotopicMass | 433.032159 |
| CLogP | 3.7999 |
| CLogS | -5.983 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 303.57 |
| Relative PSA | 0.32068 |
| PolarSurfaceArea | 135.3 |
| Druglikeness | 1.6965 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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