Molecule

ID:120451

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NS
Molecular Mass
175.25016
Exact Mass
175.04557029
Charge
0
InChI
InChI=1S/C10H9NS/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)
InChIKey
FQKLIBNGRKRDCL-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(S)c2c(n1)cccc2
Isomeric Smiles
n1c2c(c(cc1C)S)cccc2
Calculated Properties
JChem
Acid pKa
6.4055495
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2765348
LogD (pH = 7.4)
1.4529781
Log P
2.3554778
Molar Refractivity
52.5806
Polarizability
21.842226
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
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
Bioactivity
Navigation