2-[(Z)-2-nitroethenyl]-1H-indole
Formula:C10H8N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-2-nitroethenyl]-1H-indole is a drug-like molecule.
| MolName | 2-[(Z)-2-nitroethenyl]-1H-indole |
| MolecularFormula | C10H8N2O2 |
| Smiles | [O-][N+](/C=C\c1cc(cccc2)c2[nH]1)=O |
| InChI | InChI=1S/C10H8N2O2/c13-12(14)6-5-9-7-8-3-1-2-4-10(8)11-9/h1-7,11H |
| InChIK | ZUQXVMIIRIIGTQ-UHFFFAOYSA-N |
| TotalMolweight | 188.186 |
| Molweight | 188.186 |
| MonoisotopicMass | 188.058578 |
| CLogP | 0.8632 |
| CLogS | -3.175 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 147.6 |
| Relative PSA | 0.30088 |
| PolarSurfaceArea | 61.61 |
| Druglikeness | -4.8013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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