(9Z)-2,4,7-trichloro-9-[(4-nitrophenyl)methylidene]fluorene
Formula:C20H10NO2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(9Z)-2,4,7-trichloro-9-[(4-nitrophenyl)methylidene]fluorene is not a drug-like molecule.
| MolName | (9Z)-2,4,7-trichloro-9-[(4-nitrophenyl)methylidene]fluorene |
| MolecularFormula | C20H10NO2Cl3 |
| Smiles | [O-][N+](c1ccc(/C=C2\c3cc(Cl)cc(Cl)c3-c(cc3)c2cc3Cl)cc1)=O |
| InChI | InChI=1S/C20H10Cl3NO2/c21-12-3-6-15-17(8-12)16(18-9-13(22)10-19(23)20(15)18)7-11-1-4-14(5-2-11)24(25)26/h1-10H |
| InChIK | DSQLJTVYUISMMW-UHFFFAOYSA-N |
| TotalMolweight | 402.663 |
| Molweight | 402.663 |
| MonoisotopicMass | 400.97771 |
| CLogP | 6.1973 |
| CLogS | -8.625 |
| H Acceptors | 3 |
| TotalSurfaceArea | 273.92 |
| Relative PSA | 0.11105 |
| PolarSurfaceArea | 45.82 |
| Druglikeness | -5.927 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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