Molecule

ID:62131

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClN₃O₂S
Molecular Mass
303.80822
Exact Mass
303.08082551
Charge
0
InChI
InChI=1S/C12H18ClN3O2S/c1-19(17,18)16-7-3-2-4-11(16)6-5-10-8-12(13)15-9-14-10/h8-9,11H,2-7H2,1H3
InChIKey
DXKHIIULZYYKTO-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc(c1)CCC1CCCCN1S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1C(CCc2cc(ncn2)Cl)CCCC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.0545548
LogD (pH = 7.4)
1.0545661
Log P
1.0545663
Molar Refractivity
75.7477
Polarizability
29.862356
Polar Surface Area
63.16
Rotatable Bonds
3
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