Molecule

ID:44601

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₃S
Molecular Mass
284.3745
Exact Mass
284.11946351
Charge
0
InChI
InChI=1S/C13H20N2O3S/c1-12-2-4-13(5-3-12)19(17,18)15-8-6-14(7-9-15)10-11-16/h2-5,16H,6-11H2,1H3
InChIKey
GJAGYOKCNZTDQN-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(N1CCN(CC1)CCO)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
15.593096
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.15898913
LogD (pH = 7.4)
0.683854
Log P
0.6970677
Molar Refractivity
75.3929
Polarizability
29.847933
Polar Surface Area
60.85
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