Molecule

ID:41411

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₃
Molecular Mass
133.15058
Exact Mass
133.06399724
Charge
0
InChI
InChI=1S/C7H7N3/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,8H2,(H,9,10)
InChIKey
MDELYEBAXHZXLZ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc2c1cn[nH]2
Isomeric Smiles
c12c([nH]nc1)cccc2N
Calculated Properties
JChem
Acid pKa
14.319619
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.46659654
LogD (pH = 7.4)
0.4673718
Log P
0.46738175
Molar Refractivity
40.7735
Polarizability
15.797839
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
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References
Bioactivity
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