Molecule

ID:105600

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₃
Molecular Mass
226.2274
Exact Mass
226.06299418
Charge
0
InChI
InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2
InChIKey
NUZWLKWWNNJHPT-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc2c1C(=O)c1c(C2)cccc1O
Isomeric Smiles
Oc1cccc2c1C(=O)c1c(C2)cccc1O
Calculated Properties
JChem
LogD (pH = 7.4)
4.22
LogD (pH = 5.5)
4.24
Log P
4.24
Rotatable Bonds
0
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
8.57
Polar Surface Area
57.53
Polarizability
23.12
Molar Refractivity
64.27
LOG S
-3.27
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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