(9E)-3-nitro-9-(3-nitrofluoren-9-ylidene)fluorene
Formula:C26H14N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(9E)-3-nitro-9-(3-nitrofluoren-9-ylidene)fluorene is a drug-like molecule.
| MolName | (9E)-3-nitro-9-(3-nitrofluoren-9-ylidene)fluorene |
| MolecularFormula | C26H14N2O4 |
| Smiles | [O-][N+](c(cc1)cc(-c2c3cccc2)c1/C3=C1/c(ccc([N+]([O-])=O)c2)c2-c2c1cccc2)=O |
| InChI | InChI=1S/C26H14N2O4/c29-27(30)15-9-11-21-23(13-15)17-5-1-3-7-19(17)25(21)26-20-8-4-2-6-18(20)24-14-16(28(31)32)10-12-22(24)26/h1-14H |
| InChIK | ATEXOJJISQPYLS-UHFFFAOYSA-N |
| TotalMolweight | 418.407 |
| Molweight | 418.407 |
| MonoisotopicMass | 418.095358 |
| CLogP | 4.892 |
| CLogS | -9.082 |
| H Acceptors | 6 |
| TotalSurfaceArea | 295.8 |
| Relative PSA | 0.20568 |
| PolarSurfaceArea | 91.64 |
| Druglikeness | -6.5124 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 16 |
| AcidicOxygens | 2 |
| StereoCon |
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