Molecule

ID:92297

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₂
Molecular Mass
172.18002
Exact Mass
172.0524295
Charge
0
InChI
InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
InChIKey
NTCCNERMXRIPTR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(O)ccc2c1cccc2
Isomeric Smiles
O=Cc1c(ccc2ccccc12)O
Calculated Properties
JChem
LogD (pH = 7.4)
3.01
LogD (pH = 5.5)
3.02
Log P
3.02
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.81
Polar Surface Area
37.30
Polarizability
17.60
Molar Refractivity
51.07
LOG S
-2.82
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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