Molecule

ID:55160

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂Cl₂N₂O₂S
Molecular Mass
305.26488
Exact Mass
304.07790431
Charge
0
InChI
InChI=1S/C10H20N2O2S.2ClH/c11-9-1-5-12(6-2-9)10-3-7-15(13,14)8-4-10;;/h9-10H,1-8,11H2;2*1H
InChIKey
SSWDHNASJBJCMM-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C1CCS(=O)(=O)CC1.Cl.Cl
Isomeric Smiles
C1C(CCN(C1)C1CCS(=O)(=O)CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-5.8556275
LogD (pH = 7.4)
-4.2671914
Log P
-1.7586094
Molar Refractivity
61.1999
Polarizability
24.928015
Polar Surface Area
63.4
Rotatable Bonds
1
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