2-[(1S)-1-phenylprop-2-enyl]benzene-1,4-diol
PubChem CID: 24769835
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| Compound Synonyms | CHEMBL403074 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 245.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-[(1S)-1-phenylprop-2-enyl]benzene-1,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C15H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YWLDSNVXQNBZKU-ZDUSSCGKSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -2.585 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.167 |
| Compound Name | 2-[(1S)-1-phenylprop-2-enyl]benzene-1,4-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 226.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9234579411764705 |
| Inchi | InChI=1S/C15H14O2/c1-2-13(11-6-4-3-5-7-11)14-10-12(16)8-9-15(14)17/h2-10,13,16-17H,1H2/t13-/m0/s1 |
| Smiles | C=C[C@@H](C1=CC=CC=C1)C2=C(C=CC(=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Sissoo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all