[2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol
PubChem CID: 4867627
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| Compound Synonyms | CHEMBL4205751, SCHEMBL20622611, BDBM50458320 |
|---|---|
| Topological Polar Surface Area | 62.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol |
| Prediction Hob | 1.0 |
| Target Id | NPT273 |
| Xlogp | 2.2 |
| Molecular Formula | C16H12N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YFNWKBJECXFSDK-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.917 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.886 |
| Compound Name | [2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 264.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3922607999999994 |
| Inchi | InChI=1S/C16H12N2O2/c19-9-10-6-8-20-16(10)15-14-12(5-7-17-15)11-3-1-2-4-13(11)18-14/h1-8,18-19H,9H2 |
| Smiles | C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=C(C=CO4)CO |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tribulus Terrestris (Plant) Rel Props:Source_db:cmaup_ingredients