Molecule
ID:80372
General Information
Molecular Formula
C₁₃H₂₀
Molecular Mass
176.2979
Exact Mass
176.15650064
Charge
0
InChI
InChI=1S/C13H20/c1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12H,1,3-8H2,2H3
InChIKey
IATJIZFUHGLZBF-UHFFFAOYSA-N
Canonic Smiles
CC(=C)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C=C(C12CC3CC(C1)CC(C2)C3)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5720255
LogD (pH = 7.4)
3.5720255
Log P
3.5720255
Molar Refractivity
55.5982
Polarizability
22.292118
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
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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