Molecule
ID:119435
General Information
Molecular Formula
C₁₄H₁₄O₅
Molecular Mass
262.25796
Exact Mass
262.08412355
Charge
0
InChI
InChI=1S/C14H14O5/c1-7-9-3-5-11(15)8(2)13(9)19-14(18)10(7)4-6-12(16)17/h3,5,15H,4,6H2,1-2H3,(H,16,17)
InChIKey
OUROTNVDKVPWEB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)O
Isomeric Smiles
c12oc(=O)c(c(c1ccc(c2C)O)C)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.8091102
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.5628587
LogD (pH = 7.4)
-1.0615754
Log P
2.2570562
Molar Refractivity
68.0772
Polarizability
25.999727
Polar Surface Area
83.83
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...