Molecule

ID:48966

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁ClN₂O₂
Molecular Mass
236.73894
Exact Mass
236.1291556
Charge
0
InChI
InChI=1S/C10H20N2O2.ClH/c1-2-12(6-7-13)10(14)9-4-3-5-11-8-9;/h9,11,13H,2-8H2,1H3;1H
InChIKey
BWZQUAYOXIGJKV-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)C1CCCNC1)CC.Cl
Isomeric Smiles
C(=O)(C1CNCCC1)N(CCO)CC.Cl
Calculated Properties
JChem
Acid pKa
15.574263
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.842741
LogD (pH = 7.4)
-2.8243089
Log P
-0.6567449
Molar Refractivity
55.5778
Polarizability
21.78275
Polar Surface Area
52.57
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