2-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)methyl]pyridine
Formula:C19H10N4O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)methyl]pyridine is a drug-like molecule.
| MolName | 2-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)methyl]pyridine |
| MolecularFormula | C19H10N4O6 |
| Smiles | [O-][N+](c(cc1)cc(/C(/c2cc([N+]([O-])=O)c3)=C/c4ncccc4)c1-c2c3[N+]([O-])=O)=O |
| InChI | InChI=1S/C19H10N4O6/c24-21(25)12-4-5-14-16(8-12)15(7-11-3-1-2-6-20-11)17-9-13(22(26)27)10-18(19(14)17)23(28)29/h1-10H |
| InChIK | VHJZMZWVYXZBJE-UHFFFAOYSA-N |
| TotalMolweight | 390.31 |
| Molweight | 390.31 |
| MonoisotopicMass | 390.060036 |
| CLogP | 1.5892 |
| CLogS | -6.566 |
| H Acceptors | 10 |
| TotalSurfaceArea | 273.76 |
| Relative PSA | 0.37343 |
| PolarSurfaceArea | 150.35 |
| Druglikeness | -5.8244 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.37931 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 3 |
| StereoCon |
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1 - 2-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)methyl]pyridine | 2 - 2-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)methyl]pyridine
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