Molecule

ID:51935

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₃
Molecular Mass
206.23776
Exact Mass
206.09429431
Charge
0
InChI
InChI=1S/C12H14O3/c13-12(14)10-6-11(7-10)15-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)
InChIKey
YNNOFVDQHAHVFG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(C1)OCc1ccccc1
Isomeric Smiles
C1C(CC1C(=O)O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
4.3703365
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.82288265
LogD (pH = 7.4)
-0.9287905
Log P
1.9819002
Molar Refractivity
55.6772
Polarizability
21.852785
Polar Surface Area
46.53
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
暂无数据
点击上传数据
References
Bioactivity
Navigation