Molecule

ID:28448

General Information
Structure
Molecular Formula
C₁₀H₁₄N₂OS
Molecular Mass
210.29596
Exact Mass
210.08268408
Charge
0
InChI
InChI=1S/C10H14N2OS/c11-8-3-5-12(6-4-8)10(13)9-2-1-7-14-9/h1-2,7-8H,3-6,11H2
InChIKey
ZSOZXVDAAMDHHK-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)c1cccs1
Isomeric Smiles
C(=O)(N1CCC(CC1)N)c1sccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.622529
LogD (pH = 7.4)
-2.053587
Log P
0.3952974
Molar Refractivity
57.2015
Polarizability
21.84916
Polar Surface Area
46.33
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