Molecule

ID:63938

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c11-6-10(7-12-8-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKey
MDFSDDCPPNQIFV-UHFFFAOYSA-N
Canonic Smiles
OCC1(COC1)c1ccccc1
Isomeric Smiles
c1(C2(CO)COC2)ccccc1
Calculated Properties
JChem
Acid pKa
14.8907585
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8376922
LogD (pH = 7.4)
0.8376922
Log P
0.8376922
Molar Refractivity
46.5379
Polarizability
18.191042
Polar Surface Area
29.46
Rotatable Bonds
2
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