2-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan
Formula:C18H9N3O7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan is a drug-like molecule.
| MolName | 2-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan |
| MolecularFormula | C18H9N3O7 |
| Smiles | [O-][N+](c(cc1)cc(/C(/c2cc([N+]([O-])=O)c3)=C/c4ccco4)c1-c2c3[N+]([O-])=O)=O |
| InChI | InChI=1S/C18H9N3O7/c22-19(23)10-3-4-13-14(6-10)15(9-12-2-1-5-28-12)16-7-11(20(24)25)8-17(18(13)16)21(26)27/h1-9H |
| InChIK | HKIYNAFPKNXQMY-UHFFFAOYSA-N |
| TotalMolweight | 379.283 |
| Molweight | 379.283 |
| MonoisotopicMass | 379.044052 |
| CLogP | 1.7248 |
| CLogS | -7.019 |
| H Acceptors | 10 |
| TotalSurfaceArea | 264.69 |
| Relative PSA | 0.39809 |
| PolarSurfaceArea | 150.6 |
| Druglikeness | -6.0706 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.39286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| AcidicOxygens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan | 2 - 2-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off