Molecule

ID:89783

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆O₂
Molecular Mass
158.15344
Exact Mass
158.03677943
Charge
0
InChI
InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
InChIKey
FRASJONUBLZVQX-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)c2c1cccc2
Isomeric Smiles
O=C1c2ccccc2C(=O)C=C1
Calculated Properties
JChem
LogD (pH = 7.4)
1.49
LogD (pH = 5.5)
1.49
Log P
1.49
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-7.11
Polar Surface Area
34.14
Polarizability
15.43
Molar Refractivity
46.18
LOG S
-3.08
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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