Molecule

ID:82200

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₄S
Molecular Mass
277.72458
Exact Mass
277.01755655
Charge
0
InChI
InChI=1S/C10H12ClNO4S/c1-6-5-17-8(7(6)9(13)15-2)12-10(14)16-4-3-11/h5H,3-4H2,1-2H3,(H,12,14)
InChIKey
YENBDWOTBYXPRR-UHFFFAOYSA-N
Canonic Smiles
Cc1csc(c1C(=O)OC)NC(=O)OCCCl
Isomeric Smiles
N(c1c(c(cs1)C)C(=O)OC)C(=O)OCCCl
Calculated Properties
JChem
Acid pKa
11.08649
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9580724
LogD (pH = 7.4)
2.9579885
Log P
2.9580734
Molar Refractivity
65.2201
Polarizability
24.649586
Polar Surface Area
64.63
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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