Molecule

ID:31102

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃FN₂O₂S
Molecular Mass
244.2858232
Exact Mass
244.06817689
Charge
0
InChI
InChI=1S/C10H13FN2O2S/c11-9-2-1-3-10(8-9)16(14,15)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChIKey
FXEGQMAUJUTMRH-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)S(=O)(=O)N1CCNCC1
Isomeric Smiles
S(=O)(=O)(N1CCNCC1)c1cc(F)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0282423
LogD (pH = 7.4)
0.43481153
Log P
0.6334023
Molar Refractivity
58.9811
Polarizability
23.497196
Polar Surface Area
49.41
Rotatable Bonds
1
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