N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine
Formula:C10H8N4O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C10H8N4O3 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2ncccc2)o1)=O |
| InChI | InChI=1S/C10H8N4O3/c15-14(16)10-5-4-8(17-10)7-12-13-9-3-1-2-6-11-9/h1-7H,(H,11,13) |
| InChIK | HZRGLMQPBLCMHB-UHFFFAOYSA-N |
| TotalMolweight | 232.199 |
| Molweight | 232.199 |
| MonoisotopicMass | 232.059641 |
| CLogP | 2.6395 |
| CLogS | -3.546 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 181.36 |
| Relative PSA | 0.43268 |
| PolarSurfaceArea | 96.24 |
| Druglikeness | 0.98271 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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