Molecule

ID:40241

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂O₂S
Molecular Mass
270.73524
Exact Mass
270.02297628
Charge
0
InChI
InChI=1S/C11H11ClN2O2S/c1-2-16-11(15)8-6(5-14-10(8)13)9-7(12)3-4-17-9/h3-5,14H,2,13H2,1H3
InChIKey
RFBNTDJQSDBZEG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)[nH]cc1c1sccc1Cl
Isomeric Smiles
c1(c(c([nH]c1)N)C(=O)OCC)c1c(ccs1)Cl
Calculated Properties
JChem
Acid pKa
12.550602
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.3521965
LogD (pH = 7.4)
3.352195
Log P
3.352198
Molar Refractivity
68.3753
Polarizability
26.969446
Polar Surface Area
68.11
Rotatable Bonds
4
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