Molecule

ID:43856

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃S
Molecular Mass
157.23664
Exact Mass
157.06736837
Charge
0
InChI
InChI=1S/C6H11N3S/c1-6(2,3)4-8-5(7)10-9-4/h1-3H3,(H2,7,8,9)
InChIKey
QKMOPVJLRQVWKD-UHFFFAOYSA-N
Canonic Smiles
Nc1snc(n1)C(C)(C)C
Isomeric Smiles
n1c(nsc1N)C(C)(C)C
Calculated Properties
JChem
Acid pKa
14.401054
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3747685
LogD (pH = 7.4)
2.3751528
Log P
2.3751578
Molar Refractivity
43.5802
Polarizability
15.693279
Polar Surface Area
51.8
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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