Molecule

ID:13112

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₃
Molecular Mass
230.25916
Exact Mass
230.09429431
Charge
0
InChI
InChI=1S/C14H14O3/c1-10-2-4-11(5-3-10)13-8-6-12(17-13)7-9-14(15)16/h2-6,8H,7,9H2,1H3,(H,15,16)
InChIKey
XIEFXNUAGJCARS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1ccc(o1)c1ccc(cc1)C
Isomeric Smiles
c1cc(oc1c1ccc(cc1)C)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.8287215
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.285952
LogD (pH = 7.4)
0.5134718
Log P
3.0405498
Molar Refractivity
64.5664
Polarizability
25.941298
Polar Surface Area
50.44
Rotatable Bonds
4
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