Molecule

ID:69426

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1
InChIKey
YPGCWEMNNLXISK-SSDOTTSWSA-N
Canonic Smiles
C[C@H](c1ccccc1)C(=O)O
Isomeric Smiles
C(=O)([C@H](C)c1ccccc1)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.58
LogD (pH = 5.5)
1.19
Log P
2.15
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.59
Polar Surface Area
37.30
Polarizability
15.72
Molar Refractivity
41.94
LOG S
-1.50
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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