Molecule
ID:124374
General Information
Molecular Formula
C₈H₉N₅
Molecular Mass
175.19056
Exact Mass
175.08579531
Charge
0
InChI
InChI=1S/C8H9N5/c1-13-11-8(10-12-13)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
InChIKey
AARSOULZHCSWKN-UHFFFAOYSA-N
Canonic Smiles
Cn1nnc(n1)c1ccccc1N
Isomeric Smiles
c1(nn(nn1)C)c1c(N)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4072773
LogD (pH = 7.4)
1.4074874
Log P
1.4074901
Molar Refractivity
73.3366
Polarizability
18.55979
Polar Surface Area
69.62
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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