Molecule

ID:98812

General Information
Structure
MolImage
Molecular Formula
C₅H₅FN₂O₂S
Molecular Mass
176.1688032
Exact Mass
176.00557663
Charge
0
InChI
InChI=1S/C5H5FN2O2S/c1-10-5(9)8-4-7-2-3(6)11-4/h2H,1H3,(H,7,8,9)
InChIKey
AICFYFSHXMPNPR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Nc1ncc(s1)F
Isomeric Smiles
s1c(cnc1NC(=O)OC)F
Calculated Properties
JChem
Acid pKa
12.121523
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.481987
LogD (pH = 7.4)
1.4819802
Log P
1.481988
Molar Refractivity
36.6026
Polarizability
13.720384
Polar Surface Area
51.22
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