Molecule

ID:59907

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₃
Molecular Mass
230.25916
Exact Mass
230.09429431
Charge
0
InChI
InChI=1S/C14H14O3/c1-8-6-13-11(7-12(8)15)9-4-2-3-5-10(9)14(16)17-13/h6-7,15H,2-5H2,1H3
InChIKey
OPMITZHHYGCBNU-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2oc(=O)c3c(c2cc1O)CCCC3
Isomeric Smiles
c12c3c(oc(=O)c1CCCC2)cc(c(c3)O)C
Calculated Properties
JChem
Acid pKa
9.720742
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1135461
LogD (pH = 7.4)
3.1115136
Log P
3.1135721
Molar Refractivity
64.6096
Polarizability
24.703104
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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