N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C13H8N4O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C13H8N4O2ClF3 |
| Smiles | [O-][N+](c(cc(/C=N\Nc1ncc(C(F)(F)F)cc1)cc1)c1Cl)=O |
| InChI | InChI=1S/C13H8ClF3N4O2/c14-10-3-1-8(5-11(10)21(22)23)6-19-20-12-4-2-9(7-18-12)13(15,16)17/h1-7H,(H,18,20) |
| InChIK | FSYNIJIYIDBWEZ-UHFFFAOYSA-N |
| TotalMolweight | 344.68 |
| Molweight | 344.68 |
| MonoisotopicMass | 344.028787 |
| CLogP | 4.5537 |
| CLogS | -4.853 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 236.55 |
| Relative PSA | 0.27208 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -10.294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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