5-fluoro-3-[(E)-2-nitroethenyl]-1H-indole
Formula:C10H7N2O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-fluoro-3-[(E)-2-nitroethenyl]-1H-indole is a drug-like molecule.
| MolName | 5-fluoro-3-[(E)-2-nitroethenyl]-1H-indole |
| MolecularFormula | C10H7N2O2F |
| Smiles | [O-][N+](/C=C/c1c[nH]c(cc2)c1cc2F)=O |
| InChI | InChI=1S/C10H7FN2O2/c11-8-1-2-10-9(5-8)7(6-12-10)3-4-13(14)15/h1-6,12H |
| InChIK | RFGJWSVNMVSDEH-UHFFFAOYSA-N |
| TotalMolweight | 206.176 |
| Molweight | 206.176 |
| MonoisotopicMass | 206.049156 |
| CLogP | 0.91 |
| CLogS | -3.465 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 153.95 |
| Relative PSA | 0.28847 |
| PolarSurfaceArea | 61.61 |
| Druglikeness | -6.7957 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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