Molecule

ID:40361

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₂S
Molecular Mass
254.69278
Exact Mass
253.99167615
Charge
0
InChI
InChI=1S/C10H7ClN2O2S/c11-6-4-2-1-3-5(6)8-7(9(14)15)13-10(12)16-8/h1-4H,(H2,12,13)(H,14,15)
InChIKey
YJVGYZXICGCQJN-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(c(s1)c1ccccc1Cl)C(=O)O
Isomeric Smiles
c1(c(sc(n1)N)c1c(Cl)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9911501
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1587055
LogD (pH = 7.4)
-0.44103172
Log P
2.5921066
Molar Refractivity
62.0494
Polarizability
24.465256
Polar Surface Area
76.21
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