Molecule

ID:59855

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₅
Molecular Mass
274.26866
Exact Mass
274.08412355
Charge
0
InChI
InChI=1S/C15H14O5/c16-14(17)8-19-9-5-6-11-10-3-1-2-4-12(10)15(18)20-13(11)7-9/h5-7H,1-4,8H2,(H,16,17)
InChIKey
VSLUULHUGBODEF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1
Isomeric Smiles
c1(=O)c2c(c3c(o1)cc(OCC(=O)O)cc3)CCCC2
Calculated Properties
JChem
Acid pKa
3.0413768
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.20069388
LogD (pH = 7.4)
-1.2454414
Log P
2.224028
Molar Refractivity
70.1353
Polarizability
27.255724
Polar Surface Area
72.83
Rotatable Bonds
3
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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