Molecule

ID:52228

General Information
Structure
Molecular Formula
C₇H₆FNS
Molecular Mass
155.1926432
Exact Mass
155.02049842
Charge
0
InChI
InChI=1S/C7H6FNS/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChIKey
IEMYDFIJEIAQCO-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1ccccc1F
Isomeric Smiles
C(=S)(c1c(cccc1)F)N
Calculated Properties
JChem
Acid pKa
10.767956
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.8564597
LogD (pH = 7.4)
1.8566236
Log P
1.8564576
Molar Refractivity
43.3437
Polarizability
16.18337
Polar Surface Area
26.02
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