Molecule

ID:48779

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClN₃O₂
Molecular Mass
237.727
Exact Mass
237.12440458
Charge
0
InChI
InChI=1S/C9H19N3O2.ClH/c1-10-8-9(14)12-4-2-11(3-5-12)6-7-13;/h10,13H,2-8H2,1H3;1H
InChIKey
DCORFKAEDGNRQM-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)N1CCN(CC1)CCO.Cl
Isomeric Smiles
N1(C(=O)CNC)CCN(CC1)CCO.Cl
Calculated Properties
JChem
Acid pKa
15.593097
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-6.252854
LogD (pH = 7.4)
-3.4481719
Log P
-1.9174681
Molar Refractivity
54.736
Polarizability
21.475899
Polar Surface Area
55.81
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