Molecule

ID:110465

General Information
Structure
Molecular Formula
C₁₈H₂₆
Molecular Mass
242.39904
Exact Mass
242.20345083
Charge
0
InChI
InChI=1S/C18H26/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h11-16H,1-10H2
InChIKey
QQFSIGWYINAJOB-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)c1ccc(cc1)C1CCCCC1
Isomeric Smiles
C1CCC(CC1)c1ccc(cc1)C1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.203224
LogD (pH = 7.4)
6.203224
Log P
6.203224
Molar Refractivity
78.4412
Polarizability
30.897497
Polar Surface Area
0.0
Rotatable Bonds
2
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
References
Bioactivity
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