Molecule

ID:62606

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₄O₂S
Molecular Mass
318.82286
Exact Mass
318.09172455
Charge
0
InChI
InChI=1S/C12H19ClN4O2S/c1-9-14-11(7-12(13)15-9)10-5-4-6-17(8-10)20(18,19)16(2)3/h7,10H,4-6,8H2,1-3H3
InChIKey
QCJUCDRSGHOASP-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(nc(n1)C)C1CCCN(C1)S(=O)(=O)N(C)C
Isomeric Smiles
S(=O)(=O)(N1CC(c2nc(nc(c2)Cl)C)CCC1)N(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.0828404
LogD (pH = 7.4)
1.0829339
Log P
1.0829351
Molar Refractivity
79.8169
Polarizability
31.318245
Polar Surface Area
66.4
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