Molecule

ID:28103

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₅
Molecular Mass
149.15328
Exact Mass
149.07014525
Charge
0
InChI
InChI=1S/C6H7N5/c1-4-2-5(7)11-6(10-4)8-3-9-11/h2-3H,7H2,1H3
InChIKey
WCHZTJMYPRSTPF-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(N)n2c(n1)ncn2
Isomeric Smiles
n12c(ncn2)nc(cc1N)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.3957351
LogD (pH = 7.4)
-0.39571247
Log P
-0.3957122
Molar Refractivity
52.1501
Polarizability
14.45807
Polar Surface Area
69.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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