Molecule

ID:124173

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₃S
Molecular Mass
254.30546
Exact Mass
254.07251332
Charge
0
InChI
InChI=1S/C11H14N2O3S/c12-9-3-1-2-8(6-9)11(14)13-10-4-5-17(15,16)7-10/h1-3,6,10H,4-5,7,12H2,(H,13,14)
InChIKey
MBQOEEBIICFDSC-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)NC1CCS(=O)(=O)C1
Isomeric Smiles
S1(=O)(=O)CC(NC(=O)c2cc(N)ccc2)CC1
Calculated Properties
JChem
Acid pKa
15.218891
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0028896
LogD (pH = 7.4)
-1.0013005
Log P
-1.0012802
Molar Refractivity
65.2845
Polarizability
25.169022
Polar Surface Area
89.26
Rotatable Bonds
2
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