(9E)-2-nitro-9-[(4-nitrophenyl)methylidene]fluorene
Formula:C20H12N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(9E)-2-nitro-9-[(4-nitrophenyl)methylidene]fluorene is a drug-like molecule.
| MolName | (9E)-2-nitro-9-[(4-nitrophenyl)methylidene]fluorene |
| MolecularFormula | C20H12N2O4 |
| Smiles | [O-][N+](c1ccc(/C=C2/c(cc(cc3)[N+]([O-])=O)c3-c3c2cccc3)cc1)=O |
| InChI | InChI=1S/C20H12N2O4/c23-21(24)14-7-5-13(6-8-14)11-19-17-4-2-1-3-16(17)18-10-9-15(22(25)26)12-20(18)19/h1-12H |
| InChIK | NKGMHUXCLKRPBF-UHFFFAOYSA-N |
| TotalMolweight | 344.325 |
| Molweight | 344.325 |
| MonoisotopicMass | 344.079708 |
| CLogP | 3.4577 |
| CLogS | -6.877 |
| H Acceptors | 6 |
| TotalSurfaceArea | 251.33 |
| Relative PSA | 0.24207 |
| PolarSurfaceArea | 91.64 |
| Druglikeness | -6.0594 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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