[(E)-(1-amino-2-thiophen-2-ylsulfanylethylidene)amino] N-phenylcarbamate
Formula:C13H13N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-(1-amino-2-thiophen-2-ylsulfanylethylidene)amino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-thiophen-2-ylsulfanylethylidene)amino] N-phenylcarbamate |
| MolecularFormula | C13H13N3O2S2 |
| Smiles | N/C(/CSc1cccs1)=N/OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C13H13N3O2S2/c14-11(9-20-12-7-4-8-19-12)16-18-13(17)15-10-5-2-1-3-6-10/h1-8H,9H2,(H2,14,16)(H,15,17) |
| InChIK | YEZUXHWVSACAIC-UHFFFAOYSA-N |
| TotalMolweight | 307.397 |
| Molweight | 307.397 |
| MonoisotopicMass | 307.044917 |
| CLogP | 3.2679 |
| CLogS | -4.511 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 230.91 |
| Relative PSA | 0.4293 |
| PolarSurfaceArea | 130.25 |
| Druglikeness | -4.7369 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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