Molecule

ID:25601

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClNO₂S
Molecular Mass
303.7634
Exact Mass
303.01207725
Charge
0
InChI
InChI=1S/C15H10ClNO2S/c1-8-11(16)5-4-9-10(15(18)19)7-12(17-14(8)9)13-3-2-6-20-13/h2-7H,1H3,(H,18,19)
InChIKey
GGBUPYABFYLKMG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1ccc(c2C)Cl)c1cccs1
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)O)c1sccc1
Calculated Properties
JChem
Acid pKa
3.5756345
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7971876
LogD (pH = 7.4)
1.3647401
Log P
4.716173
Molar Refractivity
78.7356
Polarizability
32.51534
Polar Surface Area
50.19
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