Molecule

ID:112322

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆
Molecular Mass
112.21264
Exact Mass
112.12520051
Charge
0
InChI
InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey
SGVUHPSBDNVHKL-HTQZYQBOSA-N
Canonic Smiles
C[C@@H]1CCC[C@H](C1)C
Isomeric Smiles
C[C@@H]1CCC[C@@H](C)C1
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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