(9Z)-2-nitro-9-[(4-phenylphenyl)methylidene]fluorene
Formula:C26H17NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(9Z)-2-nitro-9-[(4-phenylphenyl)methylidene]fluorene is not a drug-like molecule.
| MolName | (9Z)-2-nitro-9-[(4-phenylphenyl)methylidene]fluorene |
| MolecularFormula | C26H17NO2 |
| Smiles | [O-][N+](c(cc1)cc2c1-c(cccc1)c1/C2=C/c(cc1)ccc1-c1ccccc1)=O |
| InChI | InChI=1S/C26H17NO2/c28-27(29)21-14-15-24-22-8-4-5-9-23(22)25(26(24)17-21)16-18-10-12-20(13-11-18)19-6-2-1-3-7-19/h1-17H |
| InChIK | OCTCSZPKLOWOMV-UHFFFAOYSA-N |
| TotalMolweight | 375.426 |
| Molweight | 375.426 |
| MonoisotopicMass | 375.125929 |
| CLogP | 6.0385 |
| CLogS | -8.503 |
| H Acceptors | 3 |
| TotalSurfaceArea | 287.42 |
| Relative PSA | 0.10584 |
| PolarSurfaceArea | 45.82 |
| Druglikeness | -6.0594 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (9Z)-2-nitro-9-[(4-phenylphenyl)methylidene]fluorene | 2 - (9Z)-2-nitro-9-[(4-phenylphenyl)methylidene]fluorene
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off