Molecule

ID:126154

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₄O₂
Molecular Mass
318.49346
Exact Mass
318.25588033
Charge
0
InChI
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3
InChIKey
TUGAUFMQYWZJAB-UHFFFAOYSA-N
Canonic Smiles
CCCCCC/C=C/CCCCCCCc1cc(O)cc(c1)O
Isomeric Smiles
Oc1cc(cc(O)c1)CCCCCCC/C=C/CCCCCC
Calculated Properties
JChem
Acid pKa
9.359033
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
7.7415166
LogD (pH = 7.4)
7.7368565
Log P
7.741576
Molar Refractivity
100.5916
Polarizability
38.88134
Polar Surface Area
40.46
Rotatable Bonds
13
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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