11-Methylquindoline
PubChem CID: 10657209
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| Compound Synonyms | 11-Methylquindoline, CHEMBL173684 |
|---|---|
| Topological Polar Surface Area | 28.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-methyl-10H-indolo[3,2-b]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C16H12N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CUCHBTQZOXIBPD-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -5.11 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.879 |
| Compound Name | 11-Methylquindoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.1 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 232.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.568362088888889 |
| Inchi | InChI=1S/C16H12N2/c1-10-11-6-2-4-8-13(11)18-16-12-7-3-5-9-14(12)17-15(10)16/h2-9,17H,1H3 |
| Smiles | CC1=C2C(=NC3=CC=CC=C13)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