Molecule

ID:52203

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂S
Molecular Mass
144.23788
Exact Mass
144.07211939
Charge
0
InChI
InChI=1S/C6H12N2S/c7-6(9)8-4-2-1-3-5-8/h1-5H2,(H2,7,9)
InChIKey
UERQMZVFUXRQOD-UHFFFAOYSA-N
Canonic Smiles
NC(=S)N1CCCCC1
Isomeric Smiles
N1(CCCCC1)C(=S)N
Calculated Properties
JChem
Acid pKa
14.782211
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
0.823754
LogD (pH = 7.4)
0.823754
Log P
0.823754
Molar Refractivity
43.0689
Polarizability
16.765642
Polar Surface Area
29.26
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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