Molecule

ID:16560

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-2-4-8-5-3-6-9(7-11)10(8)12/h2-3,5-7,12H,1,4H2
InChIKey
INLWEXRRMUMHKB-UHFFFAOYSA-N
Canonic Smiles
C=CCc1cccc(c1O)C=O
Isomeric Smiles
c1(c(c(ccc1)C=O)O)CC=C
Calculated Properties
JChem
Acid pKa
8.210638
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.129915
LogD (pH = 7.4)
3.0687966
Log P
3.1307535
Molar Refractivity
48.9102
Polarizability
18.107077
Polar Surface Area
37.3
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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