3-[(Z)-2-nitroethenyl]-1-(2-phenoxyethyl)indole
Formula:C18H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-2-nitroethenyl]-1-(2-phenoxyethyl)indole is a drug-like molecule.
| MolName | 3-[(Z)-2-nitroethenyl]-1-(2-phenoxyethyl)indole |
| MolecularFormula | C18H16N2O3 |
| Smiles | [O-][N+](/C=C\c1cn(CCOc2ccccc2)c2c1cccc2)=O |
| InChI | InChI=1S/C18H16N2O3/c21-20(22)11-10-15-14-19(18-9-5-4-8-17(15)18)12-13-23-16-6-2-1-3-7-16/h1-11,14H,12-13H2 |
| InChIK | FEARWRRQUPRCMS-UHFFFAOYSA-N |
| TotalMolweight | 308.336 |
| Molweight | 308.336 |
| MonoisotopicMass | 308.116093 |
| CLogP | 2.2167 |
| CLogS | -3.769 |
| H Acceptors | 5 |
| TotalSurfaceArea | 244.51 |
| Relative PSA | 0.19341 |
| PolarSurfaceArea | 59.98 |
| Druglikeness | -2.9709 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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