Molecule

ID:107149

General Information
Structure
Molecular Formula
C₉H₂₀
Molecular Mass
128.2551
Exact Mass
128.15650064
Charge
0
InChI
InChI=1S/C9H20/c1-5-6-7-9(4)8(2)3/h8-9H,5-7H2,1-4H3
InChIKey
WBRFDUJXCLCKPX-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C(C)C)C
Isomeric Smiles
CCCCC(C)C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.149745
LogD (pH = 7.4)
4.149745
Log P
4.149745
Molar Refractivity
43.1064
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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