6-chloro-N-[(Z)-(3-chlorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine
Formula:C17H12N4Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
6-chloro-N-[(Z)-(3-chlorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine is not a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-(3-chlorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine |
| MolecularFormula | C17H12N4Cl2 |
| Smiles | Clc1cccc(/C=N\Nc2cc(Cl)nc(-c3ccccc3)n2)c1 |
| InChI | InChI=1S/C17H12Cl2N4/c18-14-8-4-5-12(9-14)11-20-23-16-10-15(19)21-17(22-16)13-6-2-1-3-7-13/h1-11H,(H,21,22,23) |
| InChIK | JROAKYKOURGJLE-UHFFFAOYSA-N |
| TotalMolweight | 343.216 |
| Molweight | 343.216 |
| MonoisotopicMass | 342.0439 |
| CLogP | 6.5815 |
| CLogS | -6.05 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 257.36 |
| Relative PSA | 0.1745 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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