Molecule

ID:59640

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₄
Molecular Mass
218.2054
Exact Mass
218.0579088
Charge
0
InChI
InChI=1S/C12H10O4/c13-9-4-8-6-2-1-3-7(6)12(15)16-11(8)5-10(9)14/h4-5,13-14H,1-3H2
InChIKey
SVJUCZRXXOSNKR-UHFFFAOYSA-N
Canonic Smiles
Oc1cc2c(cc1O)oc(=O)c1c2CCC1
Isomeric Smiles
c12c3c(oc(=O)c1CCC2)cc(c(c3)O)O
Calculated Properties
JChem
Acid pKa
7.84653
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8500795
LogD (pH = 7.4)
1.720322
Log P
1.8520168
Molar Refractivity
56.9483
Polarizability
21.735779
Polar Surface Area
66.76
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation