5-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
Formula:C19H16N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine is a drug-like molecule.
| MolName | 5-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C19H16N4O3 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c(cc1)ccc1OCc1ccccc1)=O |
| InChI | InChI=1S/C19H16N4O3/c24-23(25)17-8-11-19(20-13-17)22-21-12-15-6-9-18(10-7-15)26-14-16-4-2-1-3-5-16/h1-13H,14H2,(H,20,22) |
| InChIK | OYOUZDTUXORMMY-UHFFFAOYSA-N |
| TotalMolweight | 348.361 |
| Molweight | 348.361 |
| MonoisotopicMass | 348.122241 |
| CLogP | 4.6179 |
| CLogS | -4.68 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 275.19 |
| Relative PSA | 0.27021 |
| PolarSurfaceArea | 92.33 |
| Druglikeness | -3.5799 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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