N-[(Z)-(2-bromophenyl)methylideneamino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
Formula:C13H8N3BrClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(2-bromophenyl)methylideneamino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C13H8N3BrClF3 |
| Smiles | FC(c(cc1Cl)cnc1N/N=C\c(cccc1)c1Br)(F)F |
| InChI | InChI=1S/C13H8BrClF3N3/c14-10-4-2-1-3-8(10)6-20-21-12-11(15)5-9(7-19-12)13(16,17)18/h1-7H,(H,19,21) |
| InChIK | MEKLNEVTZVUDKI-UHFFFAOYSA-N |
| TotalMolweight | 378.579 |
| Molweight | 378.579 |
| MonoisotopicMass | 376.954219 |
| CLogP | 6.3709 |
| CLogS | -5.227 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 231.51 |
| Relative PSA | 0.1466 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -6.5955 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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