Molecule

ID:118584

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₆
Molecular Mass
178.1945
Exact Mass
178.09669435
Charge
0
InChI
InChI=1S/C7H10N6/c1-3-8-6-5-7(10-4-9-6)13(2)12-11-5/h4H,3H2,1-2H3,(H,8,9,10)
InChIKey
NFBFVAVRNSBBFK-UHFFFAOYSA-N
Canonic Smiles
CCNc1ncnc2c1nnn2C
Isomeric Smiles
c12nnn(c1ncnc2NCC)C
Calculated Properties
JChem
Acid pKa
16.735678
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.2684142
LogD (pH = 7.4)
0.29263565
Log P
0.29295355
Molar Refractivity
61.1469
Polarizability
17.93566
Polar Surface Area
68.52
Rotatable Bonds
2
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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