Molecule

ID:12288

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClN₂O₂S
Molecular Mass
234.70314
Exact Mass
234.02297628
Charge
0
InChI
InChI=1S/C8H11ClN2O2S/c1-5-3-7(11-10)6(9)4-8(5)14(2,12)13/h3-4,11H,10H2,1-2H3
InChIKey
APJTZCUVNGPUBD-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(C)c(cc1Cl)S(=O)(=O)C
Isomeric Smiles
N(N)c1c(cc(c(c1)C)S(=O)(=O)C)Cl
Calculated Properties
JChem
Acid pKa
15.771574
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.2806344
LogD (pH = 7.4)
1.3220294
Log P
1.3226631
Molar Refractivity
59.6143
Polarizability
22.573076
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