(1R)-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-ol
PubChem CID: 92466440
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| Topological Polar Surface Area | 39.3 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1R)-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Is Pains | True |
| Molecular Formula | C13H16N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | AGILGFCOHSGLIT-MRVPVSSYSA-N |
| Fcsp3 | 0.3846153846153846 |
| Rotatable Bond Count | 0.0 |
| Compound Name | (1R)-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.126 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 216.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 216.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8572108 |
| Inchi | InChI=1S/C13H16N2O/c1-8-13-11(5-6-15(8)2)10-4-3-9(16)7-12(10)14-13/h3-4,7-8,14,16H,5-6H2,1-2H3/t8-/m1/s1 |
| Smiles | C[C@@H]1C2=C(CCN1C)C3=C(N2)C=C(C=C3)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elaeagnus Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients