Molecule

ID:69878

General Information
Structure
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11)
InChIKey
BKYWPNROPGQIFZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)C(=O)O
Isomeric Smiles
C(=O)(c1c(cc(cc1)C)C)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.41
LogD (pH = 5.5)
1.29
Log P
2.66
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.15
Polar Surface Area
37.30
Polarizability
16.15
Molar Refractivity
43.40
LOG S
-2.52
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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