Molecule

ID:110438

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀
Molecular Mass
128.2551
Exact Mass
128.15650064
Charge
0
InChI
InChI=1S/C9H20/c1-4-7-9(6-3)8-5-2/h9H,4-8H2,1-3H3
InChIKey
XMROPFQWHHUFFS-UHFFFAOYSA-N
Canonic Smiles
CCCC(CCC)CC
Isomeric Smiles
CCCC(CC)CCC
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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