Molecule

ID:22470

General Information
Structure
MolImage
Molecular Formula
C₇H₈FNO₂S
Molecular Mass
189.2073232
Exact Mass
189.02597772
Charge
0
InChI
InChI=1S/C7H8FNO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
InChIKey
FTVFGNHBSCURJP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)S(=O)(=O)C
Isomeric Smiles
Nc1c(ccc(c1)F)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
16.31308
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.12732916
LogD (pH = 7.4)
0.12733033
Log P
0.12733035
Molar Refractivity
44.9784
Polarizability
17.216492
Polar Surface Area
60.16
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