N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine
Formula:C12H7N4Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine |
| MolecularFormula | C12H7N4Cl2F3 |
| Smiles | FC(c1ccnc(N/N=C\c(ccc(Cl)c2)c2Cl)n1)(F)F |
| InChI | InChI=1S/C12H7Cl2F3N4/c13-8-2-1-7(9(14)5-8)6-19-21-11-18-4-3-10(20-11)12(15,16)17/h1-6H,(H,18,20,21) |
| InChIK | UELOHNJCPZMIHA-UHFFFAOYSA-N |
| TotalMolweight | 335.116 |
| Molweight | 335.116 |
| MonoisotopicMass | 333.999984 |
| CLogP | 5.7615 |
| CLogS | -4.69 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 227.06 |
| Relative PSA | 0.19779 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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