N-[(Z)-(4-bromophenyl)methylideneamino]-3-chloropyrazin-2-amine
Formula:C11H8N4BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-3-chloropyrazin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-3-chloropyrazin-2-amine |
| MolecularFormula | C11H8N4BrCl |
| Smiles | Clc1nccnc1N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C11H8BrClN4/c12-9-3-1-8(2-4-9)7-16-17-11-10(13)14-5-6-15-11/h1-7H,(H,15,17) |
| InChIK | DSPDMFWCZQPGPI-UHFFFAOYSA-N |
| TotalMolweight | 311.57 |
| Molweight | 311.57 |
| MonoisotopicMass | 309.962084 |
| CLogP | 4.6191 |
| CLogS | -3.417 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 200.81 |
| Relative PSA | 0.22364 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 0.59454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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