Molecule

ID:86912

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₄
Molecular Mass
298.50536
Exact Mass
298.26605109
Charge
0
InChI
InChI=1S/C22H34/c1-19(2)9-10-20(3,4)16-14-18-17(13-15(16)19)21(5,6)11-12-22(18,7)8/h13-14H,9-12H2,1-8H3
InChIKey
NABKENULMAEYJW-UHFFFAOYSA-N
Canonic Smiles
CC1(C)CCC(c2c1cc1c(c2)C(C)(C)CCC1(C)C)(C)C
Isomeric Smiles
CC1(c2c(cc3c(c2)C(CCC3(C)C)(C)C)C(C)(C)CC1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.226019
LogD (pH = 7.4)
7.226019
Log P
7.226019
Molar Refractivity
97.1172
Polarizability
38.11529
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
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