Molecule

ID:59631

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₃
Molecular Mass
244.28574
Exact Mass
244.10994437
Charge
0
InChI
InChI=1S/C15H16O3/c1-2-9-7-12-10-5-3-4-6-11(10)15(17)18-14(12)8-13(9)16/h7-8,16H,2-6H2,1H3
InChIKey
ULRCJDZFIIRZIM-UHFFFAOYSA-N
Canonic Smiles
CCc1cc2c(cc1O)oc(=O)c1c2CCCC1
Isomeric Smiles
c12c3c(oc(=O)c1CCCC2)cc(c(c3)CC)O
Calculated Properties
JChem
Acid pKa
8.02395
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.556851
LogD (pH = 7.4)
3.4661472
Log P
3.5581408
Molar Refractivity
69.2106
Polarizability
26.542229
Polar Surface Area
46.53
Rotatable Bonds
1
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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