Molecule

ID:59825

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂O₃
Molecular Mass
216.23258
Exact Mass
216.07864424
Charge
0
InChI
InChI=1S/C13H12O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h5-7,14H,1-4H2
InChIKey
OCRPPMHVRQIWOS-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)oc(=O)c1c2CCCC1
Isomeric Smiles
c1(=O)c2c(c3c(o1)cc(cc3)O)CCCC2
Calculated Properties
JChem
Acid pKa
7.76634
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.59782
LogD (pH = 7.4)
2.4459364
Log P
2.6001508
Molar Refractivity
59.5684
Polarizability
22.939491
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
No Data Available
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Molecule Details
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References
Bioactivity
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