(4-cyanophenyl)methyl N'-aminocarbamimidothioate
Formula:C9H10N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-cyanophenyl)methyl N'-aminocarbamimidothioate is a drug-like molecule.
| MolName | (4-cyanophenyl)methyl N'-aminocarbamimidothioate |
| MolecularFormula | C9H10N4S |
| Smiles | N/C(/SCc(cc1)ccc1C#N)=N/N |
| InChI | InChI=1S/C9H10N4S/c10-5-7-1-3-8(4-2-7)6-14-9(11)13-12/h1-4H,6,12H2,(H2,11,13) |
| InChIK | UBYHQMJHGFBOST-UHFFFAOYSA-N |
| TotalMolweight | 206.272 |
| Molweight | 206.272 |
| MonoisotopicMass | 206.062616 |
| CLogP | 1.2075 |
| CLogS | -4.15 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 166.23 |
| Relative PSA | 0.43975 |
| PolarSurfaceArea | 113.49 |
| Druglikeness | -6.6117 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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