Molecule

ID:107818

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆
Molecular Mass
112.21264
Exact Mass
112.12520051
Charge
0
InChI
InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKey
KVZJLSYJROEPSQ-YUMQZZPRSA-N
Canonic Smiles
C[C@H]1CCCC[C@@H]1C
Isomeric Smiles
C[C@H]1CCCC[C@@H]1C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.24145
LogD (pH = 7.4)
3.24145
Log P
3.24145
Molar Refractivity
36.703197
Polarizability
14.776336
Polar Surface Area
0.0
Rotatable Bonds
0
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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