Molecule

ID:72146

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃S
Molecular Mass
205.27944
Exact Mass
205.06736837
Charge
0
InChI
InChI=1S/C10H11N3S/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h5H,1-4H2,(H2,11,12,13)
InChIKey
QXPQVUQBEBHHQP-UHFFFAOYSA-N
Canonic Smiles
Nc1ncnc2c1c1CCCCc1s2
Isomeric Smiles
c12c(c3c(s1)CCCC3)c(ncn2)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6325567
LogD (pH = 7.4)
2.6433086
Log P
2.6434474
Molar Refractivity
58.4492
Polarizability
21.664593
Polar Surface Area
51.8
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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