Molecule

ID:36237

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NS
Molecular Mass
175.25016
Exact Mass
175.04557029
Charge
0
InChI
InChI=1S/C10H9NS/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h1-7H,11H2
InChIKey
DMPDFHZOUOIWCO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1c1ccsc1
Isomeric Smiles
c1(c2c(N)cccc2)cscc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5629542
LogD (pH = 7.4)
2.5718722
Log P
2.5719872
Molar Refractivity
53.0004
Polarizability
21.112953
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