Molecule

ID:22364

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c11-9(12)10(6-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChIKey
IWWCCNVRNHTGLV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(CC1)c1ccccc1
Isomeric Smiles
c1ccc(cc1)C1(C(=O)O)CC1
Calculated Properties
JChem
Acid pKa
4.399517
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.11424
LogD (pH = 7.4)
-0.6421059
Log P
2.2462687
Molar Refractivity
44.6389
Polarizability
17.471163
Polar Surface Area
37.3
Rotatable Bonds
2
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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