1-[(E)-2-nitroethenyl]-3,5-bis(trifluoromethyl)benzene
Formula:C10H5NO2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-nitroethenyl]-3,5-bis(trifluoromethyl)benzene is a drug-like molecule.
| MolName | 1-[(E)-2-nitroethenyl]-3,5-bis(trifluoromethyl)benzene |
| MolecularFormula | C10H5NO2F6 |
| Smiles | [O-][N+](/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O |
| InChI | InChI=1S/C10H5F6NO2/c11-9(12,13)7-3-6(1-2-17(18)19)4-8(5-7)10(14,15)16/h1-5H |
| InChIK | YWHRYXZJZWKPRI-UHFFFAOYSA-N |
| TotalMolweight | 285.143 |
| Molweight | 285.143 |
| MonoisotopicMass | 285.022447 |
| CLogP | 2.4664 |
| CLogS | -4.182 |
| H Acceptors | 3 |
| TotalSurfaceArea | 182.35 |
| Relative PSA | 0.16682 |
| PolarSurfaceArea | 45.82 |
| Druglikeness | -14.284 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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