2-(1H-indazol-5-yliminomethyl)-6-nitrophenolate
Formula:C14H9N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1H-indazol-5-yliminomethyl)-6-nitrophenolate is a drug-like molecule.
| MolName | 2-(1H-indazol-5-yliminomethyl)-6-nitrophenolate |
| MolecularFormula | C14H9N4O3 |
| Smiles | [O-]c(c(/C=N/c(cc1)cc2c1[nH]nc2)ccc1)c1[N+]([O-])=O |
| InChI | InChI=1S/C14H10N4O3/c19-14-9(2-1-3-13(14)18(20)21)7-15-11-4-5-12-10(6-11)8-16-17-12/h1-8,19H,(H,16,17)/p-1 |
| InChIK | IUHXXMANTMWKSH-UHFFFAOYSA-M |
| TotalMolweight | 281.25 |
| Molweight | 281.25 |
| MonoisotopicMass | 281.067466 |
| CLogP | -0.6014 |
| CLogS | -3.396 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 211.91 |
| Relative PSA | 0.38304 |
| PolarSurfaceArea | 109.92 |
| Druglikeness | -3.1684 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(1H-indazol-5-yliminomethyl)-6-nitrophenolate | 2 - 2-(1H-indazol-5-yliminomethyl)-6-nitrophenolate
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