2-[(3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Formula:C16H14N4O5F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is a drug-like molecule.
| MolName | 2-[(3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol |
| MolecularFormula | C16H14N4O5F6 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/C1CC2CC1)\C2C(C(F)(F)F)(C(F)(F)F)O)=O |
| InChI | InChI=1S/C16H14F6N4O5/c17-15(18,19)14(27,16(20,21)22)12-7-1-2-8(5-7)13(12)24-23-10-4-3-9(25(28)29)6-11(10)26(30)31/h3-4,6-8,12,23,27H,1-2,5H2 |
| InChIK | WIWJQQHXKVNLEQ-UHFFFAOYSA-N |
| TotalMolweight | 456.298 |
| Molweight | 456.298 |
| MonoisotopicMass | 456.086839 |
| CLogP | 3.7029 |
| CLogS | -5.687 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 282.49 |
| Relative PSA | 0.34306 |
| PolarSurfaceArea | 136.26 |
| Druglikeness | -22.72 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.41935 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| StereoCenters | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| AcidicOxygens | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 2-[(3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol | 2 - 2-[(3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off