Molecule
ID:81426
General Information
Molecular Formula
C₅H₁₀N₂S
Molecular Mass
130.2113
Exact Mass
130.05646933
Charge
0
InChI
InChI=1S/C5H10N2S/c8-5-6-3-1-2-4-7-5/h1-4H2,(H2,6,7,8)
InChIKey
ZLJLVKBAMJHNJH-UHFFFAOYSA-N
Canonic Smiles
S=C1NCCCCN1
Isomeric Smiles
N1C(=S)NCCCC1
Calculated Properties
JChem
Acid pKa
12.412364
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
0.37918285
LogD (pH = 7.4)
0.3791787
Log P
0.37918532
Molar Refractivity
38.4679
Polarizability
14.92114
Polar Surface Area
24.06
Rotatable Bonds
0
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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