Argentinine
PubChem CID: 10085878
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| Compound Synonyms | argentinine, 16625-57-3, 1-[2-(DIMETHYLAMINO)ETHYL]-4-METHOXYPHENANTHREN-3-OL, 1-(2-(dimethylamino)ethyl)-4-methoxyphenanthren-3-ol, CHEMBL458139, MEGxp0_002051, AKOS032948968, FS-8664 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCC1CCCCC12 |
| Np Classifier Class | Aporphine alkaloids |
| Deep Smiles | COccO)cccc6cccccc6cc%10))))))))))CCNC)C |
| Heavy Atom Count | 22.0 |
| Classyfire Class | 6,6a-secoaporphines |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1CCCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 359.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[2-(dimethylamino)ethyl]-4-methoxyphenanthren-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 4.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H21NO2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)ccc1ccccc12 |
| Inchi Key | HCXNUWJYBNHDAE-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | argentinine |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, cO, cOC |
| Compound Name | Argentinine |
| Exact Mass | 295.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 295.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H21NO2/c1-20(2)11-10-14-12-17(21)19(22-3)18-15-7-5-4-6-13(15)8-9-16(14)18/h4-9,12,21H,10-11H2,1-3H3 |
| Smiles | CN(C)CCC1=CC(=C(C2=C1C=CC3=CC=CC=C32)OC)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
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