Molecule

ID:89868

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₂
Molecular Mass
192.25424
Exact Mass
192.11502975
Charge
0
InChI
InChI=1S/C12H16O2/c1-8(13)10-7-9(12(2,3)4)5-6-11(10)14/h5-7,14H,1-4H3
InChIKey
XOCANIQKLIKENC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cc(ccc1O)C(C)(C)C
Isomeric Smiles
O=C(c1cc(ccc1O)C(C)(C)C)C
Calculated Properties
JChem
Acid pKa
10.386767
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4223788
LogD (pH = 7.4)
3.4219398
Log P
3.4223843
Molar Refractivity
57.1076
Polarizability
21.954718
Polar Surface Area
37.3
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
暂无数据
点击上传数据
References
Bioactivity
Navigation