N-[(Z)-(4-nitrophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C13H9N4O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C13H9N4O2F3 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2ncc(C(F)(F)F)cc2)cc1)=O |
| InChI | InChI=1S/C13H9F3N4O2/c14-13(15,16)10-3-6-12(17-8-10)19-18-7-9-1-4-11(5-2-9)20(21)22/h1-8H,(H,17,19) |
| InChIK | CJCJYOWQEWGTIK-UHFFFAOYSA-N |
| TotalMolweight | 310.234 |
| Molweight | 310.234 |
| MonoisotopicMass | 310.06776 |
| CLogP | 3.9477 |
| CLogS | -4.117 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 221.13 |
| Relative PSA | 0.29105 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -10.322 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-nitrophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine | 2 - N-[(Z)-(4-nitrophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off