Molecule

ID:89678

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂O₃
Molecular Mass
250.33338
Exact Mass
250.15689456
Charge
0
InChI
InChI=1S/C15H22O3/c1-2-3-4-5-6-9-12-18-15(17)13-10-7-8-11-14(13)16/h7-8,10-11,16H,2-6,9,12H2,1H3
InChIKey
WCJLCOAEJIHPCW-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCOC(=O)c1ccccc1O
Isomeric Smiles
Oc1c(cccc1)C(=O)OCCCCCCCC
Calculated Properties
JChem
Acid pKa
9.719647
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.4253054
LogD (pH = 7.4)
5.4232717
Log P
5.425331
Molar Refractivity
72.3418
Polarizability
28.242302
Polar Surface Area
46.53
Rotatable Bonds
9
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
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References
Bioactivity
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