N-[(Z)-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C13H9N3BrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C13H9N3BrF3 |
| Smiles | FC(c(cc1)cnc1N/N=C\c1cccc(Br)c1)(F)F |
| InChI | InChI=1S/C13H9BrF3N3/c14-11-3-1-2-9(6-11)7-19-20-12-5-4-10(8-18-12)13(15,16)17/h1-8H,(H,18,20) |
| InChIK | HYPQPKFSTKXNML-UHFFFAOYSA-N |
| TotalMolweight | 344.133 |
| Molweight | 344.133 |
| MonoisotopicMass | 342.993192 |
| CLogP | 5.7649 |
| CLogS | -4.491 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 216.09 |
| Relative PSA | 0.15706 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -6.5575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| 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 | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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