Molecule

ID:19306

General Information
Structure
Molecular Formula
C₁₁H₁₆N₂O₂S
Molecular Mass
240.32194
Exact Mass
240.09324876
Charge
0
InChI
InChI=1S/C11H16N2O2S/c1-2-15-10-9(8-14)16-11(12-10)13-6-4-3-5-7-13/h8H,2-7H2,1H3
InChIKey
JSGYUBJDIXJKEA-UHFFFAOYSA-N
Canonic Smiles
CCOc1nc(sc1C=O)N1CCCCC1
Isomeric Smiles
n1c(sc(c1OCC)C=O)N1CCCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9132345
LogD (pH = 7.4)
2.9132345
Log P
2.9132345
Molar Refractivity
65.2037
Polarizability
24.039442
Polar Surface Area
42.43
Rotatable Bonds
4
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