Molecule

ID:90700

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₃
Molecular Mass
194.22706
Exact Mass
194.09429431
Charge
0
InChI
InChI=1S/C11H14O3/c1-11(2,10(12)13)8-6-4-5-7-9(8)14-3/h4-7H,1-3H3,(H,12,13)
InChIKey
IZBKHGFHJGMWGV-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C(C(=O)O)(C)C
Isomeric Smiles
O(c1ccccc1C(C(=O)O)(C)C)C
Calculated Properties
JChem
Acid pKa
4.2224383
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2548505
LogD (pH = 7.4)
-0.46574068
Log P
2.5523233
Molar Refractivity
52.9043
Polarizability
20.722923
Polar Surface Area
46.53
Rotatable Bonds
3
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