2-bromo-6-(1H-indazol-5-yliminomethyl)-4-nitrophenolate
Formula:C14H8N4O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-6-(1H-indazol-5-yliminomethyl)-4-nitrophenolate is a drug-like molecule.
| MolName | 2-bromo-6-(1H-indazol-5-yliminomethyl)-4-nitrophenolate |
| MolecularFormula | C14H8N4O3Br |
| Smiles | [O-]c(c(/C=N/c(cc1)cc2c1[nH]nc2)cc([N+]([O-])=O)c1)c1Br |
| InChI | InChI=1S/C14H9BrN4O3/c15-12-5-11(19(21)22)4-9(14(12)20)6-16-10-1-2-13-8(3-10)7-17-18-13/h1-7,20H,(H,17,18)/p-1 |
| InChIK | DSZJQFGBQZFCDN-UHFFFAOYSA-M |
| TotalMolweight | 360.147 |
| Molweight | 360.147 |
| MonoisotopicMass | 358.977977 |
| CLogP | 0.1238 |
| CLogS | -4.23 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 230.54 |
| Relative PSA | 0.35209 |
| PolarSurfaceArea | 109.92 |
| Druglikeness | -4.9584 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-bromo-6-(1H-indazol-5-yliminomethyl)-4-nitrophenolate | 2 - 2-bromo-6-(1H-indazol-5-yliminomethyl)-4-nitrophenolate
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