Molecule

ID:125459

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂
Molecular Mass
108.18088
Exact Mass
108.09390038
Charge
0
InChI
InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2
InChIKey
BBDKZWKEPDTENS-UHFFFAOYSA-N
Canonic Smiles
C=CC1CCC=CC1
Isomeric Smiles
C=CC1CC=CCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7330902
LogD (pH = 7.4)
2.7330902
Log P
2.7330902
Molar Refractivity
37.9163
Polarizability
14.319889
Polar Surface Area
0.0
Rotatable Bonds
1
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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