Molecule

ID:23091

General Information
Structure
Molecular Formula
C₂₁H₂₈N₂O₂
Molecular Mass
340.45922
Exact Mass
340.21507815
Charge
0
InChI
InChI=1S/C21H28N2O2/c1-3-4-5-6-7-14-25-19-11-8-17(9-12-19)21(24)23-20-13-10-18(22)15-16(20)2/h8-13,15H,3-7,14,22H2,1-2H3,(H,23,24)
InChIKey
ARKLNIGSVSKJFK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1C)N
Isomeric Smiles
C(=O)(Nc1c(cc(N)cc1)C)c1ccc(cc1)OCCCCCCC
Calculated Properties
JChem
Acid pKa
12.951828
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
5.234311
LogD (pH = 7.4)
5.2493634
Log P
5.24956
Molar Refractivity
105.4729
Polarizability
39.4175
Polar Surface Area
64.35
Rotatable Bonds
9
Lipinski's Rule of Five
false
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