(1S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-ol
PubChem CID: 101627332
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| Topological Polar Surface Area | 48.1 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C12H14N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | AZTMWIPCEFFOJD-ZETCQYMHSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -5.262 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.565 |
| Compound Name | (1S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.111 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 202.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5018933999999997 |
| Inchi | InChI=1S/C12H14N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6-7,13-15H,4-5H2,1H3/t7-/m0/s1 |
| Smiles | C[C@H]1C2=C(CCN1)C3=C(N2)C=C(C=C3)O |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elaeagnus Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients