Molecule

ID:83906

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂S
Molecular Mass
188.3335
Exact Mass
188.13471965
Charge
0
InChI
InChI=1S/C9H20N2S/c1-8(2,3)6-9(4,5)11-7(10)12/h6H2,1-5H3,(H3,10,11,12)
InChIKey
NRLIQPPRCLDKDR-UHFFFAOYSA-N
Canonic Smiles
NC(=S)NC(CC(C)(C)C)(C)C
Isomeric Smiles
N(C(=S)N)C(CC(C)(C)C)(C)C
Calculated Properties
JChem
Acid pKa
12.9342165
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
2.3578274
LogD (pH = 7.4)
2.3578262
Log P
2.3578286
Molar Refractivity
57.9845
Polarizability
23.039402
Polar Surface Area
38.05
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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