3-chloro-N-[(Z)-furan-2-ylmethylideneamino]pyrazin-2-amine
Formula:C9H7N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-furan-2-ylmethylideneamino]pyrazin-2-amine is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-furan-2-ylmethylideneamino]pyrazin-2-amine |
| MolecularFormula | C9H7N4OCl |
| Smiles | Clc1nccnc1N/N=C\c1ccco1 |
| InChI | InChI=1S/C9H7ClN4O/c10-8-9(12-4-3-11-8)14-13-6-7-2-1-5-15-7/h1-6H,(H,12,14) |
| InChIK | LXMIKUJWWQXTNH-UHFFFAOYSA-N |
| TotalMolweight | 222.635 |
| Molweight | 222.635 |
| MonoisotopicMass | 222.030838 |
| CLogP | 3.0826 |
| CLogS | -2.265 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 171.87 |
| Relative PSA | 0.3434 |
| PolarSurfaceArea | 63.31 |
| Druglikeness | 1.9025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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