Molecule

ID:84114

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂S
Molecular Mass
144.23788
Exact Mass
144.07211939
Charge
0
InChI
InChI=1S/C6H12N2S/c7-6(9)8-5-3-1-2-4-5/h5H,1-4H2,(H3,7,8,9)
InChIKey
VEJCUYXHMQFYGE-UHFFFAOYSA-N
Canonic Smiles
NC(=S)NC1CCCC1
Isomeric Smiles
N(C1CCCC1)C(=S)N
Calculated Properties
JChem
Acid pKa
14.067252
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
1.1044135
LogD (pH = 7.4)
1.1044135
Log P
1.1044136
Molar Refractivity
42.4434
Polarizability
16.765156
Polar Surface Area
38.05
Rotatable Bonds
1
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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