Molecule

ID:96325

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀F₂N₂S₂
Molecular Mass
306.4381064
Exact Mass
306.10359709
Charge
0
InChI
InChI=1S/C7H5F2NS2.C6H15N/c8-4-1-2-6(5(9)3-4)10-7(11)12;1-4-7(5-2)6-3/h1-3H,(H2,10,11,12);4-6H2,1-3H3
InChIKey
ARSNORSXAQHLJJ-UHFFFAOYSA-N
Canonic Smiles
[S-]C(=S)Nc1ccc(cc1F)F.CC[NH+](CC)CC
Isomeric Smiles
Fc1cc(c(cc1)NC(=S)[S-])F.[NH+](CC)(CC)CC
Calculated Properties
JChem
Acid pKa
1.3164247
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2305238
LogD (pH = 7.4)
2.2299974
Log P
3.373141
Molar Refractivity
53.3552
Polarizability
19.446926
Polar Surface Area
12.03
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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