Molecule

ID:115874

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂S
Molecular Mass
224.70986
Exact Mass
224.01749698
Charge
0
InChI
InChI=1S/C10H9ClN2S/c11-6-9-7-14-10(13-9)12-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)
InChIKey
MTTZCPPLWMZEJL-UHFFFAOYSA-N
Canonic Smiles
ClCc1csc(n1)Nc1ccccc1
Isomeric Smiles
c1(nc(cs1)CCl)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
13.311825
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4241672
LogD (pH = 7.4)
3.4249182
Log P
3.4249284
Molar Refractivity
58.5706
Polarizability
22.504135
Polar Surface Area
24.92
Rotatable Bonds
3
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