Molecule
ID:52124
General Information
Molecular Formula
C₈H₁₈N₂S
Molecular Mass
174.30692
Exact Mass
174.11906959
Charge
0
InChI
InChI=1S/C8H18N2S/c1-2-3-4-5-6-7-10-8(9)11/h2-7H2,1H3,(H3,9,10,11)
InChIKey
WNIKJRCOHYDZLL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCNC(=S)N
Isomeric Smiles
N(C(=S)N)CCCCCCC
Calculated Properties
JChem
Acid pKa
13.191987
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
2.4073157
LogD (pH = 7.4)
2.4073153
Log P
2.4073167
Molar Refractivity
53.7068
Polarizability
21.193058
Polar Surface Area
38.05
Rotatable Bonds
6
Lipinski's Rule of Five
true
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
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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