2-bromo-6-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
Formula:C14H8N3O4BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-6-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-bromo-6-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate |
| MolecularFormula | C14H8N3O4BrF |
| Smiles | [O-]c(c(/C=N\NC(c1cc(F)ccc1)=O)cc([N+]([O-])=O)c1)c1Br |
| InChI | InChI=1S/C14H9BrFN3O4/c15-12-6-11(19(22)23)5-9(13(12)20)7-17-18-14(21)8-2-1-3-10(16)4-8/h1-7,20H,(H,18,21)/p-1 |
| InChIK | DOGUBIIVSPYJDH-UHFFFAOYSA-M |
| TotalMolweight | 381.137 |
| Molweight | 381.137 |
| MonoisotopicMass | 379.968221 |
| CLogP | 1.1823 |
| CLogS | -5.033 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 243.17 |
| Relative PSA | 0.33191 |
| PolarSurfaceArea | 110.34 |
| Druglikeness | -3.9102 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-bromo-6-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate | 2 - 2-bromo-6-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
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