3-chloro-N-[(Z)-(3-chlorophenyl)methylideneamino]pyrazin-2-amine
Formula:C11H8N4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(3-chlorophenyl)methylideneamino]pyrazin-2-amine is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(3-chlorophenyl)methylideneamino]pyrazin-2-amine |
| MolecularFormula | C11H8N4Cl2 |
| Smiles | Clc1cccc(/C=N\Nc2nccnc2Cl)c1 |
| InChI | InChI=1S/C11H8Cl2N4/c12-9-3-1-2-8(6-9)7-16-17-11-10(13)14-4-5-15-11/h1-7H,(H,15,17) |
| InChIK | IYYCNHWDDRXTMX-UHFFFAOYSA-N |
| TotalMolweight | 267.119 |
| Molweight | 267.119 |
| MonoisotopicMass | 266.0126 |
| CLogP | 4.4999 |
| CLogS | -3.319 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 197.6 |
| Relative PSA | 0.22728 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-chloro-N-[(Z)-(3-chlorophenyl)methylideneamino]pyrazin-2-amine | 2 - 3-chloro-N-[(Z)-(3-chlorophenyl)methylideneamino]pyrazin-2-amine
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