Molecule

ID:10465

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-8-3-2-4-9(5-8)10(6-11)7-12/h2-7,10H,1H3
InChIKey
XELVNYQHLUBJGP-UHFFFAOYSA-N
Canonic Smiles
O=CC(c1cccc(c1)C)C=O
Isomeric Smiles
c1(cccc(c1)C(C=O)C=O)C
Calculated Properties
JChem
Acid pKa
0.09366504
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.6546419
LogD (pH = 7.4)
-1.6572932
Log P
1.5418619
Molar Refractivity
46.8477
Polarizability
17.755997
Polar Surface Area
34.14
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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