(E)-3-anilino-2-cyanoprop-2-enethioamide
Formula:C10H9N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-anilino-2-cyanoprop-2-enethioamide is a drug-like molecule.
| MolName | (E)-3-anilino-2-cyanoprop-2-enethioamide |
| MolecularFormula | C10H9N3S |
| Smiles | NC(/C(/C#N)=C/Nc1ccccc1)=S |
| InChI | InChI=1S/C10H9N3S/c11-6-8(10(12)14)7-13-9-4-2-1-3-5-9/h1-5,7,13H,(H2,12,14) |
| InChIK | GJYKMQRTLXCKRQ-UHFFFAOYSA-N |
| TotalMolweight | 203.268 |
| Molweight | 203.268 |
| MonoisotopicMass | 203.051717 |
| CLogP | 0.5718 |
| CLogS | -3.23 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 172.37 |
| Relative PSA | 0.39618 |
| PolarSurfaceArea | 93.93 |
| Druglikeness | -4.9616 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; thio-amide/urea |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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