Molecule

ID:11010

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃S
Molecular Mass
157.23664
Exact Mass
157.06736837
Charge
0
InChI
InChI=1S/C6H11N3S/c1-4(2)3-5-8-9-6(7)10-5/h4H,3H2,1-2H3,(H2,7,9)
InChIKey
GOGZJIYMDRZJII-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1nnc(s1)N)C
Isomeric Smiles
s1c(nnc1CC(C)C)N
Calculated Properties
JChem
Acid pKa
15.037317
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1587813
LogD (pH = 7.4)
1.1588039
Log P
1.1588043
Molar Refractivity
43.7801
Polarizability
15.694388
Polar Surface Area
51.8
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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