Molecule
ID:117202
General Information
Molecular Formula
C₉H₁₁NO₂
Molecular Mass
165.18914
Exact Mass
165.0789786
Charge
0
InChI
InChI=1S/C9H11NO2/c1-7(11)10(2)8-3-5-9(12)6-4-8/h3-6,12H,1-2H3
InChIKey
STOAGEBURGENGQ-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)O)C(=O)C
Isomeric Smiles
N(C(=O)C)(c1ccc(cc1)O)C
Calculated Properties
JChem
Acid pKa
9.427911
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.77140594
LogD (pH = 7.4)
0.7674272
Log P
0.77145696
Molar Refractivity
46.0178
Polarizability
17.652882
Polar Surface Area
40.54
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...