Molecule

ID:19890

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO₂
Molecular Mass
221.29546
Exact Mass
221.14157885
Charge
0
InChI
InChI=1S/C13H19NO2/c1-10-5-6-12(14)13(8-10)16-9-11-4-2-3-7-15-11/h5-6,8,11H,2-4,7,9,14H2,1H3
InChIKey
QRYOGNRUZOGJEX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)OCC1CCCCO1)N
Isomeric Smiles
c1(c(ccc(c1)C)N)OCC1OCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2916062
LogD (pH = 7.4)
2.3622475
Log P
2.3632276
Molar Refractivity
65.1185
Polarizability
24.920734
Polar Surface Area
44.48
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