Molecule

ID:27358

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₂S
Molecular Mass
214.28466
Exact Mass
214.0775987
Charge
0
InChI
InChI=1S/C9H14N2O2S/c1-7(2)8-3-5-9(6-4-8)14(12,13)11-10/h3-7,11H,10H2,1-2H3
InChIKey
QGSCQEKKWZLTLR-UHFFFAOYSA-N
Canonic Smiles
NNS(=O)(=O)c1ccc(cc1)C(C)C
Isomeric Smiles
S(=O)(=O)(NN)c1ccc(cc1)C(C)C
Calculated Properties
JChem
Acid pKa
10.209447
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.527816
LogD (pH = 7.4)
1.5325525
Log P
1.5278101
Molar Refractivity
56.8908
Polarizability
22.480478
Polar Surface Area
72.19
Rotatable Bonds
2
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