5-nitro-N-[(Z)-[2-(trifluoromethoxy)phenyl]methylideneamino]pyridin-2-amine
Formula:C13H9N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-N-[(Z)-[2-(trifluoromethoxy)phenyl]methylideneamino]pyridin-2-amine is a drug-like molecule.
| MolName | 5-nitro-N-[(Z)-[2-(trifluoromethoxy)phenyl]methylideneamino]pyridin-2-amine |
| MolecularFormula | C13H9N4O3F3 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c(cccc1)c1OC(F)(F)F)=O |
| InChI | InChI=1S/C13H9F3N4O3/c14-13(15,16)23-11-4-2-1-3-9(11)7-18-19-12-6-5-10(8-17-12)20(21)22/h1-8H,(H,17,19) |
| InChIK | UZJSEHTZYXWPKD-UHFFFAOYSA-N |
| TotalMolweight | 326.233 |
| Molweight | 326.233 |
| MonoisotopicMass | 326.062675 |
| CLogP | 4.3688 |
| CLogS | -4.362 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 231.13 |
| Relative PSA | 0.32172 |
| PolarSurfaceArea | 92.33 |
| Druglikeness | -11.269 |
| 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 | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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