Molecule

ID:119433

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆ClN₃O₂
Molecular Mass
339.86024
Exact Mass
339.17135477
Charge
0
InChI
InChI=1S/C17H25N3O2.ClH/c18-8-3-1-2-6-16(21)19-10-13-9-14(12-19)15-5-4-7-17(22)20(15)11-13;/h4-5,7,13-14H,1-3,6,8-12,18H2;1H
InChIKey
ZREZSGHYVWLTLU-UHFFFAOYSA-N
Canonic Smiles
NCCCCCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1.Cl
Isomeric Smiles
n12c([C@@H]3CN(C(=O)CCCCCN)C[C@H](C2)C3)cccc1=O.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2032313
LogD (pH = 7.4)
-2.783438
Log P
-0.1792299
Molar Refractivity
88.5103
Polarizability
33.316284
Polar Surface Area
66.64
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