5-nitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyridin-2-amine
Formula:C14H12N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyridin-2-amine is a drug-like molecule.
| MolName | 5-nitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyridin-2-amine |
| MolecularFormula | C14H12N4O2 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\C=C\c1ccccc1)=O |
| InChI | InChI=1S/C14H12N4O2/c19-18(20)13-8-9-14(15-11-13)17-16-10-4-7-12-5-2-1-3-6-12/h1-11H,(H,15,17) |
| InChIK | OVCXYRIKVQDISR-UHFFFAOYSA-N |
| TotalMolweight | 268.275 |
| Molweight | 268.275 |
| MonoisotopicMass | 268.096026 |
| CLogP | 3.2881 |
| 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 | 0.75 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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