Molecule

ID:58425

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀
Molecular Mass
176.2979
Exact Mass
176.15650064
Charge
0
InChI
InChI=1S/C13H20/c1-2-3-13-7-10-4-11(8-13)6-12(5-10)9-13/h2-3,10-12H,4-9H2,1H3/b3-2+
InChIKey
KJONNQZAPZNSNI-NSCUHMNNSA-N
Canonic Smiles
C/C=C/C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C1C2CC3(CC1CC(C2)C3)/C=C/C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7152994
LogD (pH = 7.4)
3.7152994
Log P
3.7152994
Molar Refractivity
56.9897
Polarizability
22.292118
Polar Surface Area
0.0
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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