Molecule

ID:65994

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄O₂
Molecular Mass
236.34986
Exact Mass
236.17763001
Charge
0
InChI
InChI=1S/C15H24O2/c1-4-5-6-7-8-15(2,3)12-9-13(16)11-14(17)10-12/h9-11,16-17H,4-8H2,1-3H3
InChIKey
GWBGUJWRDDDVBI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(c1cc(O)cc(c1)O)(C)C
Isomeric Smiles
c1(C(CCCCCC)(C)C)cc(cc(c1)O)O
Calculated Properties
JChem
Acid pKa
9.312928
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.1339483
LogD (pH = 7.4)
5.1287694
Log P
5.1340146
Molar Refractivity
71.6907
Polarizability
28.041697
Polar Surface Area
40.46
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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