Molecule

ID:136968

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂O
Molecular Mass
206.32388
Exact Mass
206.16706532
Charge
0
InChI
InChI=1S/C14H22O/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h7-11,15H,5-6H2,1-4H3
InChIKey
FHTGJZOULSYEOB-UHFFFAOYSA-N
Canonic Smiles
CCC(c1cccc(c1O)C(CC)C)C
Isomeric Smiles
CCC(C)c1cccc(c1O)C(C)CC
Calculated Properties
JChem
Acid pKa
10.956413
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.048835
LogD (pH = 7.4)
5.048716
Log P
5.048836
Molar Refractivity
65.6225
Polarizability
25.546988
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
false
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