N-[(Z)-benzylideneamino]-6-chloro-2-phenylpyrimidin-4-amine
Formula:C17H13N4Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-benzylideneamino]-6-chloro-2-phenylpyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-6-chloro-2-phenylpyrimidin-4-amine |
| MolecularFormula | C17H13N4Cl |
| Smiles | Clc1nc(-c2ccccc2)nc(N/N=C\c2ccccc2)c1 |
| InChI | InChI=1S/C17H13ClN4/c18-15-11-16(22-19-12-13-7-3-1-4-8-13)21-17(20-15)14-9-5-2-6-10-14/h1-12H,(H,20,21,22) |
| InChIK | PXENSMHNBTZVCX-UHFFFAOYSA-N |
| TotalMolweight | 308.771 |
| Molweight | 308.771 |
| MonoisotopicMass | 308.082873 |
| CLogP | 5.9755 |
| CLogS | -5.314 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 241.94 |
| Relative PSA | 0.18562 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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