Molecule

ID:59637

General Information
Structure
Molecular Formula
C₁₅H₁₆O₃
Molecular Mass
244.28574
Exact Mass
244.10994437
Charge
0
InChI
InChI=1S/C15H16O3/c1-9-13(16)8-7-11-10-5-3-2-4-6-12(10)15(17)18-14(9)11/h7-8,16H,2-6H2,1H3
InChIKey
SWBDIHXOLXVPJG-UHFFFAOYSA-N
Canonic Smiles
Cc1c(O)ccc2c1oc(=O)c1c2CCCCC1
Isomeric Smiles
c12oc(=O)c3c(c1ccc(c2C)O)CCCCC3
Calculated Properties
JChem
Acid pKa
8.212351
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5573044
LogD (pH = 7.4)
3.4963114
Log P
3.5581408
Molar Refractivity
69.2106
Polarizability
26.54454
Polar Surface Area
46.53
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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