Molecule

ID:26791

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O₂S
Molecular Mass
256.3644
Exact Mass
256.12454889
Charge
0
InChI
InChI=1S/C12H20N2O2S/c1-9(2)14(10(3)4)17(15,16)12-7-5-11(13)6-8-12/h5-10H,13H2,1-4H3
InChIKey
RMDNCKPIBCUTPK-UHFFFAOYSA-N
Canonic Smiles
CC(N(S(=O)(=O)c1ccc(cc1)N)C(C)C)C
Isomeric Smiles
S(=O)(=O)(N(C(C)C)C(C)C)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7440901
LogD (pH = 7.4)
1.7444639
Log P
1.7444687
Molar Refractivity
71.0445
Polarizability
27.790014
Polar Surface Area
63.4
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