Molecule

ID:110727

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀
Molecular Mass
128.2551
Exact Mass
128.15650064
Charge
0
InChI
InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3
InChIKey
ZUBZATZOEPUUQF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(C)C
Isomeric Smiles
CCCCCCC(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3072944
LogD (pH = 7.4)
4.3072944
Log P
4.3072944
Molar Refractivity
43.1588
Polarizability
17.36981
Polar Surface Area
0.0
Rotatable Bonds
5
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
References
Bioactivity
Navigation