Molecule

ID:21714

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
InChIKey
RURHILYUWQEGOS-VOTSOKGWSA-N
Canonic Smiles
OC(=O)/C=C/c1ccc(cc1)C
Isomeric Smiles
C(=O)(/C=C/c1ccc(cc1)C)O
Calculated Properties
JChem
Acid pKa
4.637436
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7320311
LogD (pH = 7.4)
-0.04523442
Log P
2.6495078
Molar Refractivity
48.1011
Polarizability
17.954763
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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