Molecule

ID:36059

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₅
Molecular Mass
199.21196
Exact Mass
199.08579531
Charge
0
InChI
InChI=1S/C10H9N5/c11-15-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5,14H,11H2,(H,12,13,15)
InChIKey
DOCNLHQHJIAUNB-UHFFFAOYSA-N
Canonic Smiles
NNc1ncnc2c1[nH]c1c2cccc1
Isomeric Smiles
c1ccc2[nH]c3c(c2c1)ncnc3NN
Calculated Properties
JChem
Acid pKa
12.127308
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.4818588
LogD (pH = 7.4)
1.538547
Log P
1.5393258
Molar Refractivity
59.7847
Polarizability
23.882105
Polar Surface Area
79.62
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
No Data Available
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Molecule Details
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References
Bioactivity
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