S-[(2E)-2-anilino-2-(4-chlorophenyl)sulfonyliminoethyl] carbamothioate
Formula:C15H14N3O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
S-[(2E)-2-anilino-2-(4-chlorophenyl)sulfonyliminoethyl] carbamothioate is a drug-like molecule.
| MolName | S-[(2E)-2-anilino-2-(4-chlorophenyl)sulfonyliminoethyl] carbamothioate |
| MolecularFormula | C15H14N3O3ClS2 |
| Smiles | NC(SC/C(/Nc1ccccc1)=N\S(c(cc1)ccc1Cl)(=O)=O)=O |
| InChI | InChI=1S/C15H14ClN3O3S2/c16-11-6-8-13(9-7-11)24(21,22)19-14(10-23-15(17)20)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,17,20)(H,18,19) |
| InChIK | JZIVAASFDZRXSH-UHFFFAOYSA-N |
| TotalMolweight | 383.879 |
| Molweight | 383.879 |
| MonoisotopicMass | 383.016509 |
| CLogP | 2.6055 |
| CLogS | -4.377 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 268.97 |
| Relative PSA | 0.36194 |
| PolarSurfaceArea | 135.3 |
| Druglikeness | 0.51321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| 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 | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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