N-[(Z)-benzylideneamino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
Formula:C13H9N3ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-benzylideneamino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C13H9N3ClF3 |
| Smiles | FC(c1cc(Cl)c(N/N=C\c2ccccc2)nc1)(F)F |
| InChI | InChI=1S/C13H9ClF3N3/c14-11-6-10(13(15,16)17)8-18-12(11)20-19-7-9-4-2-1-3-5-9/h1-8H,(H,18,20) |
| InChIK | ZMLUSNKADQBTFL-UHFFFAOYSA-N |
| TotalMolweight | 299.682 |
| Molweight | 299.682 |
| MonoisotopicMass | 299.043708 |
| CLogP | 5.6457 |
| CLogS | -4.393 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 212.88 |
| Relative PSA | 0.15943 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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