Harmic amide
PubChem CID: 71388550
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| Compound Synonyms | Harmic amide, 62230-09-5, CHEMBL4087155, SCHEMBL25832011, DTXSID70810613 |
|---|---|
| Topological Polar Surface Area | 81.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-9H-pyrido[3,4-b]indole-1-carboxamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C13H11N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PINCERXQILXQIT-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -3.542 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.59 |
| Compound Name | Harmic amide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 241.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 241.085 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 241.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1493944444444444 |
| Inchi | InChI=1S/C13H11N3O2/c1-18-7-2-3-8-9-4-5-15-12(13(14)17)11(9)16-10(8)6-7/h2-6,16H,1H3,(H2,14,17) |
| Smiles | COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C(=O)N |
| 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;npass_chem_all