Molecule

ID:23853

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₃
Molecular Mass
133.15058
Exact Mass
133.06399724
Charge
0
InChI
InChI=1S/C7H7N3/c8-5-3-7-6(10-4-5)1-2-9-7/h1-4,9H,8H2
InChIKey
ZURXBXYCBASGBD-UHFFFAOYSA-N
Canonic Smiles
Nc1cnc2c(c1)[nH]cc2
Isomeric Smiles
c1(cnc2c(c1)[nH]cc2)N
Calculated Properties
JChem
Acid pKa
14.211567
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.22454713
LogD (pH = 7.4)
0.4082571
Log P
0.41125974
Molar Refractivity
39.316
Polarizability
15.811739
Polar Surface Area
54.7
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
No Data Available
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Molecule Details
References
Bioactivity
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