Molecule

ID:68253

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O₂S
Molecular Mass
241.31
Exact Mass
241.08849774
Charge
0
InChI
InChI=1S/C10H15N3O2S/c1-2-15-9(14)8-7-16-10(12-8)13-5-3-11-4-6-13/h7,11H,2-6H2,1H3
InChIKey
NNFAICXZOSXKDP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc(n1)N1CCNCC1
Isomeric Smiles
s1c(nc(c1)C(=O)OCC)N1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4641027
LogD (pH = 7.4)
0.15530647
Log P
1.4345393
Molar Refractivity
62.3256
Polarizability
23.751328
Polar Surface Area
54.46
Rotatable Bonds
4
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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