Molecule

ID:61307

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₄
Molecular Mass
258.26926
Exact Mass
258.08920893
Charge
0
InChI
InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)13-7-4-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3
InChIKey
XHBZOAYMBBUURD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CC(=O)c1ccc(cc1O)O
Isomeric Smiles
c1(C(=O)Cc2ccc(cc2)OC)c(cc(cc1)O)O
Calculated Properties
JChem
Acid pKa
7.8743796
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.2486138
LogD (pH = 7.4)
3.1257663
Log P
3.2504313
Molar Refractivity
71.6077
Polarizability
27.384495
Polar Surface Area
66.76
Rotatable Bonds
4
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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