Molecule

ID:53498

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆O₄
Molecular Mass
190.15224
Exact Mass
190.02660867
Charge
0
InChI
InChI=1S/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H
InChIKey
SXPUVBFQXJHYNS-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=O)c1ccco1)c1ccco1
Isomeric Smiles
c1cc(oc1)C(=O)C(=O)c1occc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3652198
LogD (pH = 7.4)
1.3652198
Log P
1.3652198
Molar Refractivity
46.8546
Polarizability
17.540226
Polar Surface Area
60.42
Rotatable Bonds
3
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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