Molecule

ID:73729

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆
Molecular Mass
112.21264
Exact Mass
112.12520051
Charge
0
InChI
InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3
InChIKey
RCBGGJURENJHKV-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(=C)C
Isomeric Smiles
C=C(CCCCC)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5150797
LogD (pH = 7.4)
3.5150797
Log P
3.5150797
Molar Refractivity
38.3353
Polarizability
15.295921
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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