Molecule

ID:50935

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁N₃OS
Molecular Mass
185.24674
Exact Mass
185.06228299
Charge
0
InChI
InChI=1S/C7H11N3OS/c8-6-5-12-7(9-6)10-1-3-11-4-2-10/h5H,1-4,8H2
InChIKey
HGXLNZXTYOPVHM-UHFFFAOYSA-N
Canonic Smiles
Nc1csc(n1)N1CCOCC1
Isomeric Smiles
n1c(scc1N)N1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.96923465
LogD (pH = 7.4)
0.9713367
Log P
0.9713636
Molar Refractivity
49.2567
Polarizability
17.761175
Polar Surface Area
51.38
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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