Molecule

ID:78456

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-5,11H,1-2H3
InChIKey
IAMNVCJECQWBLZ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)C)C(=O)C
Isomeric Smiles
O=C(c1c(cc(cc1)O)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.62
LogD (pH = 5.5)
1.74
Log P
1.74
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
7.91
Polar Surface Area
37.30
Polarizability
16.03
Molar Refractivity
43.48
LOG S
-1.86
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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