Molecule

ID:31811

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂O₂S
Molecular Mass
212.26878
Exact Mass
212.06194863
Charge
0
InChI
InChI=1S/C9H12N2O2S/c1-14(12,13)11-5-4-7-2-3-8(10)6-9(7)11/h2-3,6H,4-5,10H2,1H3
InChIKey
WYMVKGHSXNNMKK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)N(CC2)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1c2cc(N)ccc2CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.23799959
LogD (pH = 7.4)
-0.21922119
Log P
-0.21897638
Molar Refractivity
55.6479
Polarizability
21.588545
Polar Surface Area
63.4
Rotatable Bonds
0
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