Alprenolol, (S)-
PubChem CID: 204665
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (S)-Alprenolol, L-ALPRENOLOL, (-)-Alprenolol, 23846-71-1, Alprenolol, (S)-, 3J532ZIY9K, UNII-3J532ZIY9K, (2S)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol, CHEMBL1160734, (+-)-1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-2-propanol, 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (+-)-, 2-PROPANOL, 1-(O-ALLYLPHENOXY)-3-(ISOPROPYLAMINO)-, (-)-, (2s)-1-[(1-Methylethyl)amino]-3-(2-Prop-2-En-1-Ylphenoxy)propan-2-Ol, 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyl)phenoxy]-, (S)-, 2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-(2-(2-PROPEN-1-YL)PHENOXY)-, (2S)-, 2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-(2-(2-PROPENYL)PHENOXY)-, (S)-, JTZ, SCHEMBL34637, BDBM50518977, PDSP1_000822, PDSP2_000809, AKOS040746058, HY-121692, CS-0083069, Q27257281, (2S)-1-(propan-2-ylamino)-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol |
|---|---|
| Topological Polar Surface Area | 41.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 231.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Target Id | NPT226, NPT225 |
| Xlogp | 3.1 |
| Is Pains | False |
| Molecular Formula | C15H23NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PAZJSJFMUHDSTF-AWEZNQCLSA-N |
| Fcsp3 | 0.4666666666666667 |
| Rotatable Bond Count | 8.0 |
| Compound Name | Alprenolol, (S)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 249.173 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 249.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 249.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0576614666666666 |
| Inchi | InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m0/s1 |
| Smiles | CC(C)NC[C@@H](COC1=CC=CC=C1CC=C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients