Molecule
ID:112820
General Information
Molecular Formula
C₉H₁₆
Molecular Mass
124.22334
Exact Mass
124.12520051
Charge
0
InChI
InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h9H,4,7-8H2,1-3H3
InChIKey
ZDXUMWBWHSCWBK-UHFFFAOYSA-N
Canonic Smiles
CCC#CCCC(C)C
Isomeric Smiles
CCC#CCCC(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.892001
LogD (pH = 7.4)
3.892001
Log P
3.892001
Molar Refractivity
42.5202
Polarizability
16.258823
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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