Methyl quindoline-11-carboxylate
PubChem CID: 10540400
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| Compound Synonyms | Methyl quindoline-11-carboxylate, CHEMBL510259, SCHEMBL8482626, SCHEMBL8482627, QOXYKEFMYJEKEY-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 55.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 414.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 10H-indolo[3,2-b]quinoline-11-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C17H12N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AAONKCQWDVKDQP-UHFFFAOYSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -5.484 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.442 |
| Compound Name | Methyl quindoline-11-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 276.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.288076619047619 |
| Inchi | InChI=1S/C17H12N2O2/c1-21-17(20)14-10-6-2-4-8-12(10)18-15-11-7-3-5-9-13(11)19-16(14)15/h2-9,19H,1H3 |
| Smiles | COC(=O)C1=C2C(=NC3=CC=CC=C31)C4=CC=CC=C4N2 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Genipa Americana (Plant) Rel Props:Source_db:cmaup_ingredients