Molecule

ID:11419

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₄
Molecular Mass
192.16812
Exact Mass
192.04225874
Charge
0
InChI
InChI=1S/C10H8O4/c11-9(12)8-5-6-3-1-2-4-7(6)10(13)14-8/h1-4,8H,5H2,(H,11,12)
InChIKey
AMDCSPFANXXWQC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1OC(=O)c2c(C1)cccc2
Isomeric Smiles
C1(=O)OC(C(=O)O)Cc2c1cccc2
Calculated Properties
JChem
Acid pKa
3.183877
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.78587276
LogD (pH = 7.4)
-1.9416851
Log P
1.5065509
Molar Refractivity
47.2228
Polarizability
18.27976
Polar Surface Area
63.6
Rotatable Bonds
1
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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