Molecule

ID:40889

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₄
Molecular Mass
148.16522
Exact Mass
148.07489628
Charge
0
InChI
InChI=1S/C7H8N4/c1-11-7-5(6(8)10-11)3-2-4-9-7/h2-4H,1H3,(H2,8,10)
InChIKey
SHBCCEDOUTZFFW-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(c2c1nccc2)N
Isomeric Smiles
n1n(c2c(c1N)cccn2)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3341411
LogD (pH = 7.4)
0.33529028
Log P
0.33530495
Molar Refractivity
54.0987
Polarizability
15.971698
Polar Surface Area
56.73
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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