Molecule
ID:124603
General Information
Molecular Formula
C₁₁H₈FNO₂S
Molecular Mass
237.2501232
Exact Mass
237.02597772
Charge
0
InChI
InChI=1S/C11H8FNO2S/c1-6-9(11(14)15)16-10(13-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15)
InChIKey
HBTVWEQIDYVHMD-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)c1nc(c(s1)C(=O)O)C
Isomeric Smiles
c1(sc(nc1C)c1cc(F)ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.075544
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3233625
LogD (pH = 7.4)
-0.74463934
Log P
2.7209034
Molar Refractivity
68.2162
Polarizability
22.228962
Polar Surface Area
50.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...