Molecule

ID:1790

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey
XMIIGOLPHOKFCH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1ccccc1
Isomeric Smiles
OC(=O)CCc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.56
LogD (pH = 5.5)
1.22
Log P
2.06
Rotatable Bonds
3
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.73
Polar Surface Area
37.30
Polarizability
15.97
Molar Refractivity
41.97
LOG S
-1.34
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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