[5-(9H-(115N)pyridino[3,4-b]indol-1-yl)furan-2-yl]methanol
PubChem CID: 10706796
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| Topological Polar Surface Area | 62.1 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [5-(9H-(115N)pyridino[3,4-b]indol-1-yl)furan-2-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C16H12N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KFUCYPGCMLPUMT-CAAGJAQSSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.89 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.688 |
| Compound Name | [5-(9H-(115N)pyridino[3,4-b]indol-1-yl)furan-2-yl]methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 265.087 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.087 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 265.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4236180751799994 |
| Inchi | InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2/i17+1 |
| Smiles | C1=CC=C2C(=C1)C3=C(N2)C(=[15N]C=C3)C4=CC=C(O4)CO |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients