Molecule
ID:52088
General Information
Molecular Formula
C₇H₁₄N₂S
Molecular Mass
158.26446
Exact Mass
158.08776946
Charge
0
InChI
InChI=1S/C7H14N2S/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)
InChIKey
LEEHHPPLIOFGSC-UHFFFAOYSA-N
Canonic Smiles
NC(=S)NC1CCCCC1
Isomeric Smiles
N(C(=S)N)C1CCCCC1
Calculated Properties
JChem
Acid pKa
14.067252
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
1.5489823
LogD (pH = 7.4)
1.5489821
Log P
1.5489823
Molar Refractivity
47.0444
Polarizability
18.610128
Polar Surface Area
38.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...