Molecule

ID:22253

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆O₃
Molecular Mass
174.15284
Exact Mass
174.03169405
Charge
0
InChI
InChI=1S/C10H6O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6H
InChIKey
QZYCWJVSPFQUQC-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C=C1c1ccccc1
Isomeric Smiles
O1C(=O)C(=CC1=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.228012
LogD (pH = 7.4)
2.228012
Log P
2.228012
Molar Refractivity
45.8537
Polarizability
17.63485
Polar Surface Area
43.37
Rotatable Bonds
1
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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