Molecule

ID:60163

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₄
Molecular Mass
269.25214
Exact Mass
269.06880784
Charge
0
InChI
InChI=1S/C15H11NO4/c1-20-11-7-3-5-9-13(11)16-12-8(14(9)17)4-2-6-10(12)15(18)19/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKey
ZDSRKZQRHDTJCK-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1[nH]c1c(cccc1c2=O)C(=O)O
Isomeric Smiles
c1cc(c2c(c1)c(=O)c1c([nH]2)c(ccc1)C(=O)O)OC
Calculated Properties
JChem
Acid pKa
3.562896
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.7680584
LogD (pH = 7.4)
0.3435599
Log P
3.6991904
Molar Refractivity
72.7811
Polarizability
27.2498
Polar Surface Area
75.63
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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