Molecule

ID:84945

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₄
Molecular Mass
258.26926
Exact Mass
258.08920893
Charge
0
InChI
InChI=1S/C15H14O4/c1-10(16)12-7-8-13(15(18)14(12)17)19-9-11-5-3-2-4-6-11/h2-8,17-18H,9H2,1H3
InChIKey
ATPRISWXCSYAJU-UHFFFAOYSA-N
Canonic Smiles
Oc1c(OCc2ccccc2)ccc(c1O)C(=O)C
Isomeric Smiles
O(c1ccc(c(c1O)O)C(=O)C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
9.606061
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.1405308
LogD (pH = 7.4)
3.137892
Log P
3.1405644
Molar Refractivity
71.4984
Polarizability
27.385798
Polar Surface Area
66.76
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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