Molecule

ID:52450

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂S
Molecular Mass
160.28034
Exact Mass
160.10341952
Charge
0
InChI
InChI=1S/C7H16N2S/c1-2-3-4-5-6-9-7(8)10/h2-6H2,1H3,(H3,8,9,10)
InChIKey
LMYQWQCDUHNQLF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCNC(=S)N
Isomeric Smiles
N(C(=S)N)CCCCCC
Calculated Properties
JChem
Acid pKa
14.777763
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
1.9627482
LogD (pH = 7.4)
1.9627482
Log P
1.9627482
Molar Refractivity
49.1058
Polarizability
19.347006
Polar Surface Area
38.05
Rotatable Bonds
5
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