Molecule

ID:28273

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄N₄O₂S₃
Molecular Mass
364.55026
Exact Mass
364.10613903
Charge
0
InChI
InChI=1S/C13H24N4O2S3/c1-3-22(18,19)16-7-4-6-11(10-16)12-14-15-13(20)17(12)8-5-9-21-2/h11H,3-10H2,1-2H3,(H,15,20)
InChIKey
NOGDESCMJKJVKQ-UHFFFAOYSA-N
Canonic Smiles
CSCCCn1c(S)nnc1C1CCCN(C1)S(=O)(=O)CC
Isomeric Smiles
n1(c(nnc1S)C1CN(S(=O)(=O)CC)CCC1)CCCSC
Calculated Properties
JChem
Acid pKa
7.763728
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.89789414
LogD (pH = 7.4)
0.7510281
Log P
0.90022206
Molar Refractivity
96.2037
Polarizability
37.20025
Polar Surface Area
68.09
Rotatable Bonds
6
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