Molecule

ID:59093

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO₂
Molecular Mass
215.24782
Exact Mass
215.09462866
Charge
0
InChI
InChI=1S/C13H13NO2/c1-3-16-13(15)11-8-10-6-4-5-7-12(10)14-9(11)2/h4-8H,3H2,1-2H3
InChIKey
DUBPJEDOCJXVKG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2ccccc2nc1C
Isomeric Smiles
c1cccc2c1nc(c(c2)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.616618
LogD (pH = 7.4)
2.6224804
Log P
2.6225555
Molar Refractivity
61.3447
Polarizability
24.988989
Polar Surface Area
39.19
Rotatable Bonds
3
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