Molecule

ID:80373

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂
Molecular Mass
178.31378
Exact Mass
178.1721507
Charge
0
InChI
InChI=1S/C13H22/c1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13/h9-12H,3-8H2,1-2H3
InChIKey
ISDSLPMQFWIUPU-UHFFFAOYSA-N
Canonic Smiles
CC(C12CC3CC(C2)CC(C1)C3)C
Isomeric Smiles
CC(C12CC3CC(C1)CC(C2)C3)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9196715
LogD (pH = 7.4)
3.9196715
Log P
3.9196715
Molar Refractivity
55.8207
Polarizability
22.524515
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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