Molecule

ID:126956

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈O₂
Molecular Mass
184.19072
Exact Mass
184.0524295
Charge
0
InChI
InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
InChIKey
NFBOHOGPQUYFRF-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)Oc1c(O2)cccc1
Isomeric Smiles
O1c2c(Oc3c1cccc3)cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
3.00
LogD (pH = 5.5)
3.00
Log P
3.00
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
-3.48
Polar Surface Area
18.46
Polarizability
19.20
Molar Refractivity
52.48
LOG S
-3.87
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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