Molecule
ID:81115
General Information
Molecular Formula
C₁₂H₂₆
Molecular Mass
170.33484
Exact Mass
170.20345083
Charge
0
InChI
InChI=1S/C12H26/c1-5-6-9-12(4)10-7-8-11(2)3/h11-12H,5-10H2,1-4H3
InChIKey
DHJGXZWEQBKLNV-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CCCC(C)C)C
Isomeric Smiles
CC(CCCC(CCCC)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.483451
LogD (pH = 7.4)
5.483451
Log P
5.483451
Molar Refractivity
56.9094
Polarizability
22.910648
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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