2,4-dinitro-N-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylideneamino]aniline
Formula:C14H7N4O4F13
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dinitro-N-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4-dinitro-N-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylideneamino]aniline |
| MolecularFormula | C14H7N4O4F13 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O |
| InChI | InChI=1S/C14H7F13N4O4/c15-9(16,10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27)3-4-28-29-7-2-1-6(30(32)33)5-8(7)31(34)35/h1-2,4-5,29H,3H2 |
| InChIK | DFKGWBDJNHAXEO-UHFFFAOYSA-N |
| TotalMolweight | 542.208 |
| Molweight | 542.208 |
| MonoisotopicMass | 542.02597 |
| CLogP | 5.7267 |
| CLogS | -7.421 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 315.59 |
| Relative PSA | 0.26557 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | -111.72 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 21 |
| Electronegative Atoms | 21 |
| Rotatable Bond | 11 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 7 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2,4-dinitro-N-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylideneamino]aniline | 2 - 2,4-dinitro-N-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylideneamino]aniline
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