Molecule

ID:19062

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₅
Molecular Mass
175.19056
Exact Mass
175.08579531
Charge
0
InChI
InChI=1S/C8H9N5/c1-6-10-11-12-13(6)8-4-2-3-7(9)5-8/h2-5H,9H2,1H3
InChIKey
LRZJCDOGEFFSDN-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)n1nnnc1C
Isomeric Smiles
n1(nnnc1C)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.28481245
LogD (pH = 7.4)
0.3045513
Log P
0.30480894
Molar Refractivity
52.134
Polarizability
18.560091
Polar Surface Area
69.62
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
References
Bioactivity
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