Molecule

ID:57696

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂S
Molecular Mass
240.32194
Exact Mass
240.09324876
Charge
0
InChI
InChI=1S/C11H16N2O2S/c1-2-8-7-9(10(12)16-8)11(14)13-3-5-15-6-4-13/h7H,2-6,12H2,1H3
InChIKey
ZIHSDPZUYNXHTO-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(c(s1)N)C(=O)N1CCOCC1
Isomeric Smiles
c1(c(sc(c1)CC)N)C(=O)N1CCOCC1
Calculated Properties
JChem
Acid pKa
19.880747
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9106791
LogD (pH = 7.4)
1.9106792
Log P
1.9106792
Molar Refractivity
64.5507
Polarizability
23.948078
Polar Surface Area
55.56
Rotatable Bonds
2
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