Molecule

ID:16544

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇FN₂O₃S
Molecular Mass
254.2375832
Exact Mass
254.01614131
Charge
0
InChI
InChI=1S/C10H7FN2O3S/c11-7-3-1-6(2-4-7)9-12-13-10(16-9)17-5-8(14)15/h1-4H,5H2,(H,14,15)
InChIKey
HIAAWEVGYSBOCA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CSc1nnc(o1)c1ccc(cc1)F
Isomeric Smiles
c1(c2ccc(cc2)F)oc(nn1)SCC(=O)O
Calculated Properties
JChem
Acid pKa
3.700476
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.1970736
LogD (pH = 7.4)
-1.7040076
Log P
1.6012743
Molar Refractivity
70.766
Polarizability
22.808441
Polar Surface Area
76.22
Rotatable Bonds
4
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