Molecule
ID:15955
General Information
Molecular Formula
C₁₀H₁₄O₄
Molecular Mass
198.21576
Exact Mass
198.08920893
Charge
0
InChI
InChI=1S/C10H14O4/c1-11-7-5-9(13-3)10(14-4)6-8(7)12-2/h5-6H,1-4H3
InChIKey
JUVJUCAKSWHQEE-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)c(cc1OC)OC
Isomeric Smiles
c1(c(cc(c(c1)OC)OC)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3425608
LogD (pH = 7.4)
1.3425608
Log P
1.3425608
Molar Refractivity
51.9108
Polarizability
20.424145
Polar Surface Area
36.92
Rotatable Bonds
4
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...