Molecule
ID:51747
General Information
Molecular Formula
C₁₀H₁₃NO₃
Molecular Mass
195.21512
Exact Mass
195.08954328
Charge
0
InChI
InChI=1S/C10H13NO3/c1-7(12)11-8-4-5-9(13-2)10(6-8)14-3/h4-6H,1-3H3,(H,11,12)
InChIKey
DZPYVOWPTBVRJR-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)NC(=O)C
Isomeric Smiles
c1c(c(ccc1NC(=O)C)OC)OC
Calculated Properties
JChem
Acid pKa
14.497164
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8956137
LogD (pH = 7.4)
0.8956136
Log P
0.8956137
Molar Refractivity
53.8474
Polarizability
20.259203
Polar Surface Area
47.56
Rotatable Bonds
3
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...