(9Z)-9-benzylidene-2-nitrofluorene
Formula:C20H13NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(9Z)-9-benzylidene-2-nitrofluorene is a drug-like molecule.
| MolName | (9Z)-9-benzylidene-2-nitrofluorene |
| MolecularFormula | C20H13NO2 |
| Smiles | [O-][N+](c(cc1)cc2c1-c(cccc1)c1/C2=C/c1ccccc1)=O |
| InChI | InChI=1S/C20H13NO2/c22-21(23)15-10-11-18-16-8-4-5-9-17(16)19(20(18)13-15)12-14-6-2-1-3-7-14/h1-13H |
| InChIK | XRBNIPUYAMAOGV-UHFFFAOYSA-N |
| TotalMolweight | 299.328 |
| Molweight | 299.328 |
| MonoisotopicMass | 299.094629 |
| CLogP | 4.3793 |
| CLogS | -6.417 |
| H Acceptors | 3 |
| TotalSurfaceArea | 227.66 |
| Relative PSA | 0.13362 |
| PolarSurfaceArea | 45.82 |
| Druglikeness | -6.0594 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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