Molecule

ID:27715

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃S
Molecular Mass
157.23664
Exact Mass
157.06736837
Charge
0
InChI
InChI=1S/C6H11N3S/c1-3-4-9-5(2)7-8-6(9)10/h3-4H2,1-2H3,(H,8,10)
InChIKey
YZHXROJGRJZQIT-UHFFFAOYSA-N
Canonic Smiles
CCCn1c(C)nnc1S
Isomeric Smiles
n1(c(nnc1C)S)CCC
Calculated Properties
JChem
Acid pKa
7.933219
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.89576685
LogD (pH = 7.4)
0.7910107
Log P
0.8978525
Molar Refractivity
45.3221
Polarizability
16.54448
Polar Surface Area
30.71
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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