Molecule

ID:16470

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₆S₂
Molecular Mass
290.3673
Exact Mass
290.04083635
Charge
0
InChI
InChI=1S/C11H10N6S2/c1-6-8(19-9(12)15-6)7-5-18-11(16-7)17-10-13-3-2-4-14-10/h2-5H,1H3,(H2,12,15)(H,13,14,16,17)
InChIKey
FHVNBKUGDCJKHS-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(c(s1)c1csc(n1)Nc1ncccn1)C
Isomeric Smiles
c1(c2c(nc(s2)N)C)nc(sc1)Nc1ncccn1
Calculated Properties
JChem
Acid pKa
6.299551
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
2.1111052
LogD (pH = 7.4)
1.1681197
Log P
2.1867588
Molar Refractivity
74.3581
Polarizability
28.711174
Polar Surface Area
89.61
Rotatable Bonds
3
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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