Molecule

ID:88813

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₃
Molecular Mass
182.21636
Exact Mass
182.09429431
Charge
0
InChI
InChI=1S/C10H14O3/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7,11H,5-6H2,1-2H3
InChIKey
SRQAJMUHZROVHW-UHFFFAOYSA-N
Canonic Smiles
OCCc1ccc(c(c1)OC)OC
Isomeric Smiles
OCCc1ccc(c(c1)OC)OC
Calculated Properties
JChem
Acid pKa
15.886208
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1792147
LogD (pH = 7.4)
1.1792147
Log P
1.1792147
Molar Refractivity
50.5553
Polarizability
19.590702
Polar Surface Area
38.69
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
References
Bioactivity
Navigation