2-bromo-6-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenolate
Formula:C20H11N3O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-bromo-6-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-bromo-6-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenolate |
| MolecularFormula | C20H11N3O3Br |
| Smiles | [O-]c(c(/C=N\N=C1c(cccc2)c2-c2c1cccc2)cc([N+]([O-])=O)c1)c1Br |
| InChI | InChI=1S/C20H12BrN3O3/c21-18-10-13(24(26)27)9-12(20(18)25)11-22-23-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,25H/p-1 |
| InChIK | NKADFBNVWJETED-UHFFFAOYSA-M |
| TotalMolweight | 421.229 |
| Molweight | 421.229 |
| MonoisotopicMass | 419.998378 |
| CLogP | 4.2485 |
| CLogS | -7.906 |
| H Acceptors | 6 |
| TotalSurfaceArea | 276.84 |
| Relative PSA | 0.24462 |
| PolarSurfaceArea | 93.6 |
| Druglikeness | -5.3646 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-bromo-6-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenolate | 2 - 2-bromo-6-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenolate
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