Molecule

ID:59906

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₃
Molecular Mass
230.25916
Exact Mass
230.09429431
Charge
0
InChI
InChI=1S/C14H14O3/c15-9-6-7-11-10-4-2-1-3-5-12(10)14(16)17-13(11)8-9/h6-8,15H,1-5H2
InChIKey
XWZHCDCMXBLZFJ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)oc(=O)c1c2CCCCC1
Isomeric Smiles
c1(=O)c2c(c3c(o1)cc(cc3)O)CCCCC2
Calculated Properties
JChem
Acid pKa
7.7663403
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0423887
LogD (pH = 7.4)
2.8905053
Log P
3.0447195
Molar Refractivity
64.1694
Polarizability
24.778917
Polar Surface Area
46.53
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