(9E)-9-[(4-chlorophenyl)methylidene]-2-nitrofluorene
Formula:C20H12NO2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(9E)-9-[(4-chlorophenyl)methylidene]-2-nitrofluorene is a drug-like molecule.
| MolName | (9E)-9-[(4-chlorophenyl)methylidene]-2-nitrofluorene |
| MolecularFormula | C20H12NO2Cl |
| Smiles | [O-][N+](c(cc1)cc2c1-c(cccc1)c1/C2=C\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C20H12ClNO2/c21-14-7-5-13(6-8-14)11-19-17-4-2-1-3-16(17)18-10-9-15(22(23)24)12-20(18)19/h1-12H |
| InChIK | OCNWYTXNTVILNH-UHFFFAOYSA-N |
| TotalMolweight | 333.773 |
| Molweight | 333.773 |
| MonoisotopicMass | 333.055656 |
| CLogP | 4.9853 |
| CLogS | -7.153 |
| H Acceptors | 3 |
| TotalSurfaceArea | 243.08 |
| Relative PSA | 0.12514 |
| PolarSurfaceArea | 45.82 |
| Druglikeness | -5.927 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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