Molecule

ID:51235

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₃S
Molecular Mass
256.32134
Exact Mass
256.08816338
Charge
0
InChI
InChI=1S/C11H16N2O3S/c1-17(15,16)13-8-6-12(7-9-13)10-4-2-3-5-11(10)14/h2-5,14H,6-9H2,1H3
InChIKey
BJVGQDNUYBTDNJ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1N1CCN(CC1)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1CCN(c2c(O)cccc2)CC1)C
Calculated Properties
JChem
Acid pKa
10.197941
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.34673068
LogD (pH = 7.4)
0.34608904
Log P
0.34677708
Molar Refractivity
66.3898
Polarizability
25.90397
Polar Surface Area
60.85
Rotatable Bonds
1
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