Molecule

ID:40690

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉FOS
Molecular Mass
220.2626632
Exact Mass
220.03581413
Charge
0
InChI
InChI=1S/C12H9FOS/c1-8(14)11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKey
JJDDBZXRWFKKTH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1ccc(s1)C(=O)C
Isomeric Smiles
s1c(ccc1c1ccc(cc1)F)C(=O)C
Calculated Properties
JChem
Acid pKa
15.020884
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2304082
LogD (pH = 7.4)
3.2304082
Log P
3.2304082
Molar Refractivity
58.4874
Polarizability
23.328342
Polar Surface Area
17.07
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