Molecule
ID:127060
General Information
Molecular Formula
C₆H₁₅N₃S
Molecular Mass
161.2684
Exact Mass
161.0986685
Charge
0
InChI
InChI=1S/C6H15N3S/c1-9(2)4-3-5-10-6(7)8/h3-5H2,1-2H3,(H3,7,8)
InChIKey
OLHQOJYVQUNWPL-UHFFFAOYSA-N
Canonic Smiles
CN(CCCSC(=N)N)C
Isomeric Smiles
CN(C)CCCSC(=N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.1641016
LogD (pH = 7.4)
-3.453446
Log P
0.3882868
Molar Refractivity
57.913
Polarizability
18.255253
Polar Surface Area
53.11
Rotatable Bonds
5
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
No Data Available
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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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