5-nitro-N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine
Formula:C11H9N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine is a drug-like molecule.
| MolName | 5-nitro-N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine |
| MolecularFormula | C11H9N5O2 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C/c1cnccc1)=O |
| InChI | InChI=1S/C11H9N5O2/c17-16(18)10-3-4-11(13-8-10)15-14-7-9-2-1-5-12-6-9/h1-8H,(H,13,15) |
| InChIK | BNMDYNAUIHWDCM-UHFFFAOYSA-N |
| TotalMolweight | 243.225 |
| Molweight | 243.225 |
| MonoisotopicMass | 243.075625 |
| CLogP | 2.2689 |
| CLogS | -2.544 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 190.43 |
| Relative PSA | 0.39558 |
| PolarSurfaceArea | 95.99 |
| Druglikeness | -3.1321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 5-nitro-N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine | 2 - 5-nitro-N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine
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