Molecule

ID:27357

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₂S
Molecular Mass
214.28466
Exact Mass
214.0775987
Charge
0
InChI
InChI=1S/C9H14N2O2S/c1-2-3-8-4-6-9(7-5-8)14(12,13)11-10/h4-7,11H,2-3,10H2,1H3
InChIKey
CFZXCIBTMJYOFO-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)S(=O)(=O)NN
Isomeric Smiles
S(=O)(=O)(NN)c1ccc(cc1)CCC
Calculated Properties
JChem
Acid pKa
10.222119
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6853638
LogD (pH = 7.4)
1.6899666
Log P
1.6853596
Molar Refractivity
56.9432
Polarizability
22.481115
Polar Surface Area
72.19
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