4-[(R)-hydroxy(piperidin-2-yl)methyl]benzene-1,2-diol
PubChem CID: 10198398
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| Topological Polar Surface Area | 72.7 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 224.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-[(R)-hydroxy(piperidin-2-yl)methyl]benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C12H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IYMMESGOJVNCKV-FFFFSGIJSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.621 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.853 |
| Compound Name | 4-[(R)-hydroxy(piperidin-2-yl)methyl]benzene-1,2-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 223.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 223.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 223.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9178863999999995 |
| Inchi | InChI=1S/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2/t9?,12-/m1/s1 |
| Smiles | C1CCNC(C1)[C@@H](C2=CC(=C(C=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cassia Javanica (Plant) Rel Props:Source_db:cmaup_ingredients