Molecule

ID:77433

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O₃S
Molecular Mass
290.7664
Exact Mass
290.04919103
Charge
0
InChI
InChI=1S/C11H15ClN2O3S/c1-7-11(10(15)5-12)8(2)14(13-7)9-3-4-18(16,17)6-9/h9H,3-6H2,1-2H3
InChIKey
VEQMDBFUBDADIO-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1c(C)nn(c1C)C1CCS(=O)(=O)C1
Isomeric Smiles
n1c(C)c(c(n1C1CS(=O)(=O)CC1)C)C(=O)CCl
Calculated Properties
JChem
Acid pKa
14.599909
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.39342326
LogD (pH = 7.4)
-0.39289448
Log P
-0.39288768
Molar Refractivity
80.4096
Polarizability
27.180195
Polar Surface Area
69.03
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