N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine
Formula:C14H12N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine |
| MolecularFormula | C14H12N4O2 |
| Smiles | [O-][N+](c1c(/C=C/C=N\Nc2ncccc2)cccc1)=O |
| InChI | InChI=1S/C14H12N4O2/c19-18(20)13-8-2-1-6-12(13)7-5-11-16-17-14-9-3-4-10-15-14/h1-11H,(H,15,17) |
| InChIK | OIHSGINPYDJIQQ-UHFFFAOYSA-N |
| TotalMolweight | 268.275 |
| Molweight | 268.275 |
| MonoisotopicMass | 268.096026 |
| CLogP | 3.1177 |
| CLogS | -3.631 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 218.17 |
| Relative PSA | 0.295 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -3.085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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