Molecule
ID:81072
General Information
Molecular Formula
C₁₀H₂₂
Molecular Mass
142.28168
Exact Mass
142.1721507
Charge
0
InChI
InChI=1S/C10H22/c1-5-6-7-8-10(4)9(2)3/h9-10H,5-8H2,1-4H3
InChIKey
YPMNDMUOGQJCLW-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(C(C)C)C
Isomeric Smiles
CC(C(CCCCC)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5943136
LogD (pH = 7.4)
4.5943136
Log P
4.5943136
Molar Refractivity
47.7074
Polarizability
19.216736
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...