Molecule
ID:119526
General Information
Molecular Formula
C₁₄H₂₄O
Molecular Mass
208.33976
Exact Mass
208.18271539
Charge
0
InChI
InChI=1S/C14H24O/c1-2-14(15)12-10-8-6-4-3-5-7-9-11-13-14/h1,15H,3-13H2
InChIKey
DCHDUZYXRMNPCU-UHFFFAOYSA-N
Canonic Smiles
C#CC1(O)CCCCCCCCCCC1
Isomeric Smiles
C(#C)C1(O)CCCCCCCCCCC1
Calculated Properties
JChem
Acid pKa
16.702654
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.099957
LogD (pH = 7.4)
4.099957
Log P
4.099957
Molar Refractivity
64.3513
Polarizability
25.324482
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...