Molecule
ID:121244
General Information
Molecular Formula
C₈H₉N₅
Molecular Mass
175.19056
Exact Mass
175.08579531
Charge
0
InChI
InChI=1S/C8H9N5/c9-7-5-2-1-3-6(5)12-8-10-4-11-13(7)8/h4H,1-3,9H2
InChIKey
IMQBKTYGTJTOGV-UHFFFAOYSA-N
Canonic Smiles
Nc1c2CCCc2nc2n1ncn2
Isomeric Smiles
n12c(nc3c(c1N)CCC3)ncn2
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.35450956
LogD (pH = 7.4)
0.35451904
Log P
0.35451916
Molar Refractivity
60.016
Polarizability
17.326954
Polar Surface Area
69.1
Rotatable Bonds
0
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
No Data Available
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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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