Molecule

ID:78298

General Information
Structure
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,11,12)
InChIKey
RYNDYESLUKWOEE-UHFFFAOYSA-N
Canonic Smiles
C=C(C(=O)O)Cc1ccccc1
Isomeric Smiles
O=C(C(=C)Cc1ccccc1)O
Calculated Properties
JChem
Acid pKa
4.8009067
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7292577
LogD (pH = 7.4)
-0.0451106
Log P
2.5068705
Molar Refractivity
46.3445
Polarizability
17.959387
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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