Molecule

ID:117341

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₃S₃
Molecular Mass
302.393
Exact Mass
301.98535519
Charge
0
InChI
InChI=1S/C10H10N2O3S3/c11-18(14,15)8-3-1-7(2-4-8)5-12-9(13)6-17-10(12)16/h1-4H,5-6H2,(H2,11,14,15)
InChIKey
LADUVXHCZLCUCL-UHFFFAOYSA-N
Canonic Smiles
O=C1CSC(=S)N1Cc1ccc(cc1)S(=O)(=O)N
Isomeric Smiles
N1(C(=S)SCC1=O)Cc1ccc(S(=O)(=O)N)cc1
Calculated Properties
JChem
Acid pKa
10.217009
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1662779
LogD (pH = 7.4)
1.1656994
Log P
1.1662853
Molar Refractivity
75.1977
Polarizability
30.013405
Polar Surface Area
80.47
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