Molecule

ID:55431

General Information
Structure
Molecular Formula
C₇H₁₆Cl₂N₂O₂
Molecular Mass
231.12014
Exact Mass
230.05888312
Charge
0
InChI
InChI=1S/C7H14N2O2.2ClH/c1-6(7(10)11)9-4-2-8-3-5-9;;/h6,8H,2-5H2,1H3,(H,10,11);2*1H
InChIKey
HSBOMMGREWADKV-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)N1CCNCC1.Cl.Cl
Isomeric Smiles
C1CN(CCN1)C(C(=O)O)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
1.8236707
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.1981995
LogD (pH = 7.4)
-2.9584029
Log P
-2.9592812
Molar Refractivity
41.322
Polarizability
16.48107
Polar Surface Area
52.57
Rotatable Bonds
2
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