Molecule

ID:90452

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₃
Molecular Mass
133.15058
Exact Mass
133.06399724
Charge
0
InChI
InChI=1S/C7H7N3/c1-5-2-7(9)10-4-6(5)3-8/h2,4H,1H3,(H2,9,10)
InChIKey
WOQVCAIIMZEFGA-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(N)ncc1C#N
Isomeric Smiles
n1cc(c(cc1N)C)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8793698
LogD (pH = 7.4)
0.8904789
Log P
0.89062256
Molar Refractivity
39.6778
Polarizability
14.164259
Polar Surface Area
62.7
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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