Molecule

ID:22979

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-3-11-21-14-9-7-13(8-10-14)17(20)19-16-6-4-5-15(18)12(16)2/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKey
HNFHZEOUZMKLIQ-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)C(=O)Nc1cccc(c1C)N
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)c1ccc(cc1)OCCC
Calculated Properties
JChem
Acid pKa
13.215871
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.4646225
LogD (pH = 7.4)
3.4712
Log P
3.471285
Molar Refractivity
87.0689
Polarizability
32.042526
Polar Surface Area
64.35
Rotatable Bonds
5
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