Molecule

ID:13296

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₂S
Molecular Mass
282.40168
Exact Mass
282.14019895
Charge
0
InChI
InChI=1S/C14H22N2O2S/c1-12(2)11-13-3-5-14(6-4-13)19(17,18)16-9-7-15-8-10-16/h3-6,12,15H,7-11H2,1-2H3
InChIKey
KZJIVGLNMLOAEG-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)S(=O)(=O)N1CCNCC1)C
Isomeric Smiles
S(=O)(=O)(N1CCNCC1)c1ccc(cc1)CC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5186335
LogD (pH = 7.4)
1.9816874
Log P
2.180278
Molar Refractivity
77.5565
Polarizability
31.049828
Polar Surface Area
49.41
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