4-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol
PubChem CID: 5814
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 149-95-1, (S)-noradrenaline, (s)-norepinephrine, 4-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol, D-noradrenaline, (S)-4-(2-Amino-1-hydroxyethyl)pyrocatechol, d-Norepinephrine, (+)-Norepinephrine, Norepinephrine, (+)-, d-Arterenol, 887AEE91JI, CHEBI:33571, 1,2-Benzenediol, 4-[(1S)-2-amino-1-hydroxyethyl]-, (+)-Noradrenaline, UNII-887AEE91JI, 1,2-BENZENEDIOL, 4-((1S)-2-AMINO-1-HYDROXYETHYL)-, EINECS 205-750-4, CHEMBL18824, S-(+)-NOREPINEPHRINE, (-)arte-renol bitartrate salt, SCHEMBL3489077, BDBM162127, DTXSID901316081, BENZYL ALCOHOL, alpha-(AMINOMETHYL)-3,4-DIHYDROXY-, (+)-, PDSP1_001513, PDSP2_001497, AKOS025117033, NCGC00094737-01, NCGC00094737-02, NCGC00094737-03, NCGC00094737-04, AC-10037, NS00079475, EN300-1837474, BRD-K39981244-001-01-5, Q26841322 |
|---|---|
| Topological Polar Surface Area | 86.7 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 142.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT47, NPT48, NPT49, NPT50, NPT46, NPT51, NPT282, NPT151, NPT58, NPT109 |
| Xlogp | -1.2 |
| Molecular Formula | C8H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SFLSHLFXELFNJZ-MRVPVSSYSA-N |
| Fcsp3 | 0.25 |
| Logs | -1.258 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.372 |
| Compound Name | 4-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 169.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 169.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 169.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.3457159999999997 |
| Inchi | InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m1/s1 |
| Smiles | C1=CC(=C(C=C1[C@@H](CN)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients