Molecule

ID:19104

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂S
Molecular Mass
224.3656
Exact Mass
224.13471965
Charge
0
InChI
InChI=1S/C12H20N2S/c13-10-11(12-6-5-9-15-12)14-7-3-1-2-4-8-14/h5-6,9,11H,1-4,7-8,10,13H2
InChIKey
HFJGSTGLKXVXAC-UHFFFAOYSA-N
Canonic Smiles
NCC(c1cccs1)N1CCCCCC1
Isomeric Smiles
c1(C(N2CCCCCC2)CN)sccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1211927
LogD (pH = 7.4)
0.04093685
Log P
2.385242
Molar Refractivity
65.8536
Polarizability
26.03782
Polar Surface Area
29.26
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