Molecule

ID:59865

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀O₅
Molecular Mass
304.3377
Exact Mass
304.13107374
Charge
0
InChI
InChI=1S/C17H20O5/c1-4-5-6-12-9-15(18)22-16-10(2)14(8-7-13(12)16)21-11(3)17(19)20/h7-9,11H,4-6H2,1-3H3,(H,19,20)
InChIKey
ZVRGYRUCBJTRFP-UHFFFAOYSA-N
Canonic Smiles
CCCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)O)C
Isomeric Smiles
c12c(c(cc(=O)o2)CCCC)ccc(c1C)OC(C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.315207
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.6505436
LogD (pH = 7.4)
0.39612246
Log P
3.8189578
Molar Refractivity
81.7165
Polarizability
31.56595
Polar Surface Area
72.83
Rotatable Bonds
6
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