Methylharmine
PubChem CID: 56638410
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| Compound Synonyms | methylharmine, Compound NP-024229, CHEMBL4069146, AKOS040737240 |
|---|---|
| Topological Polar Surface Area | 37.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethyl-7-methoxy-9H-pyrido[3,4-b]indole |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C14H14N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QQQXZACTFUGYLB-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.603 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.138 |
| Compound Name | Methylharmine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.111 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 226.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6424121529411764 |
| Inchi | InChI=1S/C14H14N2O/c1-3-12-14-11(6-7-15-12)10-5-4-9(17-2)8-13(10)16-14/h4-8,16H,3H2,1-2H3 |
| Smiles | CCC1=NC=CC2=C1NC3=C2C=CC(=C3)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Source_db:cmaup_ingredients