Molecule

ID:76265

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
CVBUKMMMRLOKQR-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)CC(=O)C
Isomeric Smiles
O=C(c1ccccc1)CC(=O)C
Calculated Properties
JChem
Acid pKa
9.147291
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7526495
LogD (pH = 7.4)
1.7450498
Log P
1.7527473
Molar Refractivity
46.356
Polarizability
17.815502
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
No Data Available
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Molecule Details
References
Bioactivity
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