Molecule

ID:112321

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀
Molecular Mass
128.2551
Exact Mass
128.15650064
Charge
0
InChI
InChI=1S/C9H20/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3
InChIKey
PSABUFWDVWCFDP-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(C)(C)C
Isomeric Smiles
CCCCCC(C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1627727
LogD (pH = 7.4)
4.1627727
Log P
4.1627727
Molar Refractivity
43.0329
Polarizability
17.36981
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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