Molecule

ID:124194

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃O
Molecular Mass
175.18726
Exact Mass
175.07456192
Charge
0
InChI
InChI=1S/C9H9N3O/c1-6-11-12-9(13-6)7-4-2-3-5-8(7)10/h2-5H,10H2,1H3
InChIKey
MHYGUGBTOPYBBG-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(o1)c1ccccc1N
Isomeric Smiles
c1(nnc(o1)C)c1c(N)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.2734211
LogD (pH = 7.4)
0.27359238
Log P
0.27359456
Molar Refractivity
61.2263
Polarizability
18.617132
Polar Surface Area
64.94
Rotatable Bonds
1
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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