Molecule

ID:28446

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₂
Molecular Mass
250.33668
Exact Mass
250.16812795
Charge
0
InChI
InChI=1S/C14H22N2O2/c1-2-18-14-9-11(3-4-13(14)17)10-16-7-5-12(15)6-8-16/h3-4,9,12,17H,2,5-8,10,15H2,1H3
InChIKey
FUBMOVYOFWIFLM-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(ccc1O)CN1CCC(CC1)N
Isomeric Smiles
N1(Cc2cc(c(cc2)O)OCC)CCC(CC1)N
Calculated Properties
JChem
Acid pKa
9.789021
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.6486294
LogD (pH = 7.4)
-1.8033358
Log P
0.27640826
Molar Refractivity
73.1752
Polarizability
28.663656
Polar Surface Area
58.72
Rotatable Bonds
4
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