Molecule

ID:57675

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₄O₃S₃
Molecular Mass
342.4171
Exact Mass
341.9915032
Charge
0
InChI
InChI=1S/C11H10N4O3S3/c12-10-13-14-11(20-10)19-6-5-15-9(16)7-3-1-2-4-8(7)21(15,17)18/h1-4H,5-6H2,(H2,12,13)
InChIKey
RRAQYQKAKRAPDM-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc(s1)SCCN1C(=O)c2c(S1(=O)=O)cccc2
Isomeric Smiles
S1(=O)(=O)N(C(=O)c2c1cccc2)CCSc1sc(nn1)N
Calculated Properties
JChem
Acid pKa
14.489535
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
1.1573606
LogD (pH = 7.4)
1.1573622
Log P
1.1573623
Molar Refractivity
83.3203
Polarizability
31.164724
Polar Surface Area
106.25
Rotatable Bonds
4
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