(9Z)-9-[(4-chlorophenyl)methylidene]-2,4,7-trinitrofluorene
Formula:C20H10N3O6Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(9Z)-9-[(4-chlorophenyl)methylidene]-2,4,7-trinitrofluorene is a drug-like molecule.
| MolName | (9Z)-9-[(4-chlorophenyl)methylidene]-2,4,7-trinitrofluorene |
| MolecularFormula | C20H10N3O6Cl |
| Smiles | [O-][N+](c(cc1)cc2c1-c(c([N+]([O-])=O)cc([N+]([O-])=O)c1)c1/C2=C\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C20H10ClN3O6/c21-12-3-1-11(2-4-12)7-16-17-8-13(22(25)26)5-6-15(17)20-18(16)9-14(23(27)28)10-19(20)24(29)30/h1-10H |
| InChIK | TVWVSNIBSNCZTL-UHFFFAOYSA-N |
| TotalMolweight | 423.767 |
| Molweight | 423.767 |
| MonoisotopicMass | 423.025814 |
| CLogP | 3.1421 |
| CLogS | -8.073 |
| H Acceptors | 9 |
| TotalSurfaceArea | 290.42 |
| Relative PSA | 0.31423 |
| PolarSurfaceArea | 137.46 |
| Druglikeness | -5.927 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (9Z)-9-[(4-chlorophenyl)methylidene]-2,4,7-trinitrofluorene | 2 - (9Z)-9-[(4-chlorophenyl)methylidene]-2,4,7-trinitrofluorene
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off