Molecule

ID:71772

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₄
Molecular Mass
258.26926
Exact Mass
258.08920893
Charge
0
InChI
InChI=1S/C15H14O4/c16-15(17)14-7-6-13(19-14)9-18-12-5-4-10-2-1-3-11(10)8-12/h4-8H,1-3,9H2,(H,16,17)
InChIKey
BQKLXOGKDTYPRT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)COc1ccc2c(c1)CCC2
Isomeric Smiles
o1c(ccc1C(=O)O)COc1cc2c(cc1)CCC2
Calculated Properties
JChem
Acid pKa
3.1123633
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8264029
LogD (pH = 7.4)
-0.27406785
Log P
3.1855638
Molar Refractivity
69.5396
Polarizability
26.29968
Polar Surface Area
59.67
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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