(9Z)-9-benzylidene-2,4,7-trinitrofluorene
Formula:C20H11N3O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(9Z)-9-benzylidene-2,4,7-trinitrofluorene is a drug-like molecule.
| MolName | (9Z)-9-benzylidene-2,4,7-trinitrofluorene |
| MolecularFormula | C20H11N3O6 |
| Smiles | [O-][N+](c(cc1)cc(/C(/c2cc([N+]([O-])=O)c3)=C/c4ccccc4)c1-c2c3[N+]([O-])=O)=O |
| InChI | InChI=1S/C20H11N3O6/c24-21(25)13-6-7-15-17(9-13)16(8-12-4-2-1-3-5-12)18-10-14(22(26)27)11-19(20(15)18)23(28)29/h1-11H |
| InChIK | IGBYQHMFVDFJBZ-UHFFFAOYSA-N |
| TotalMolweight | 389.322 |
| Molweight | 389.322 |
| MonoisotopicMass | 389.064787 |
| CLogP | 2.5361 |
| CLogS | -7.337 |
| H Acceptors | 9 |
| TotalSurfaceArea | 275 |
| Relative PSA | 0.33185 |
| PolarSurfaceArea | 137.46 |
| Druglikeness | -6.0594 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.37931 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 3 |
| StereoCon |
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