N'-amino-2,2,2-trichloroethanimidamide
Formula:C2H4N3Cl3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
N'-amino-2,2,2-trichloroethanimidamide is a drug-like molecule.
| MolName | N'-amino-2,2,2-trichloroethanimidamide |
| MolecularFormula | C2H4N3Cl3 |
| Smiles | N/C(/C(Cl)(Cl)Cl)=N/N |
| InChI | InChI=1S/C2H4Cl3N3/c3-2(4,5)1(6)8-7/h7H2,(H2,6,8) |
| InChIK | DAMAGPSKWVJEEW-UHFFFAOYSA-N |
| TotalMolweight | 176.434 |
| Molweight | 176.434 |
| MonoisotopicMass | 174.947078 |
| CLogP | 0.7215 |
| CLogS | -2.189 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 110.18 |
| Relative PSA | 0.38165 |
| PolarSurfaceArea | 64.4 |
| Druglikeness | -3.1639 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 8 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N'-amino-2,2,2-trichloroethanimidamide | 2 - N'-amino-2,2,2-trichloroethanimidamide
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