Molecule

ID:60516

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₇O₂S
Molecular Mass
293.30504
Exact Mass
293.06949363
Charge
0
InChI
InChI=1S/C10H11N7O2S/c1-15-7-6(8(18)16(2)10(15)19)12-4-17(7)3-5-13-14-9(11)20-5/h4H,3H2,1-2H3,(H2,11,14)
InChIKey
QKDYPRKPEWPUOK-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc(s1)Cn1cnc2c1n(C)c(=O)n(c2=O)C
Isomeric Smiles
c12c(n(c(=O)n(c1=O)C)C)n(cn2)Cc1sc(nn1)N
Calculated Properties
JChem
Acid pKa
14.885093
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.1571707
LogD (pH = 7.4)
-1.156956
Log P
-1.1569532
Molar Refractivity
71.966
Polarizability
25.663927
Polar Surface Area
110.24
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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