Molecule

ID:86971

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)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)
InChIKey
LTMHEXFMSAISLN-UHFFFAOYSA-N
Canonic Smiles
S=C(NC(C)(C)C)NC(C)(C)C
Isomeric Smiles
N(C(=S)NC(C)(C)C)C(C)(C)C
Calculated Properties
JChem
Acid pKa
14.034927
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
2.0813072
LogD (pH = 7.4)
2.0813072
Log P
2.0813072
Molar Refractivity
58.5381
Polarizability
23.040104
Polar Surface Area
24.06
Rotatable Bonds
2
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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