Molecule

ID:90379

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3
InChIKey
VCHOFVSNWYPAEF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cccc(c1)C(=O)C
Isomeric Smiles
O=C(c1cccc(c1)C(=O)C)C
Calculated Properties
JChem
Acid pKa
15.614071
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0885409
LogD (pH = 7.4)
1.0885408
Log P
1.0885409
Molar Refractivity
46.8636
Polarizability
17.793962
Polar Surface Area
34.14
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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