Molecule

ID:57705

General Information
Structure
Molecular Formula
C₁₅H₁₄O₄
Molecular Mass
258.26926
Exact Mass
258.08920893
Charge
0
InChI
InChI=1S/C15H14O4/c1-18-14-9-12(15(16)17)7-8-13(14)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
InChIKey
JGMBQAGNZLBZCE-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OCc1ccccc1)C(=O)O
Isomeric Smiles
C(=O)(c1cc(c(OCc2ccccc2)cc1)OC)O
Calculated Properties
JChem
Acid pKa
4.1328135
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.6574938
LogD (pH = 7.4)
-0.038066607
Log P
3.0399592
Molar Refractivity
70.8532
Polarizability
27.281248
Polar Surface Area
55.76
Rotatable Bonds
5
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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