Molecule

ID:65451

General Information
Structure
Molecular Formula
C₁₀H₁₁NO₂
Molecular Mass
177.19984
Exact Mass
177.0789786
Charge
0
InChI
InChI=1S/C10H11NO2/c1-6-8(13-2)4-3-7-5-11-10(12)9(6)7/h3-4H,5H2,1-2H3,(H,11,12)
InChIKey
DZDRBBAYZARKBU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1C)C(=O)NC2
Isomeric Smiles
C1(=O)c2c(c(ccc2CN1)OC)C
Calculated Properties
JChem
Acid pKa
14.329055
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1545395
LogD (pH = 7.4)
1.1545396
Log P
1.1545396
Molar Refractivity
50.0921
Polarizability
18.558622
Polar Surface Area
38.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
Navigation