Molecule

ID:107237

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂N₂S
Molecular Mass
132.22718
Exact Mass
132.07211939
Charge
0
InChI
InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKey
FLVIGYVXZHLUHP-UHFFFAOYSA-N
Canonic Smiles
CCNC(=S)NCC
Isomeric Smiles
CCNC(=S)NCC
Calculated Properties
JChem
LogD (pH = 7.4)
0.69
LogD (pH = 5.5)
0.69
Log P
0.69
Rotatable Bonds
2
H Donor
2
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
14.35
Polar Surface Area
24.06
Polarizability
15.13
Molar Refractivity
40.42
LOG S
-1.17
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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