Molecule

ID:60232

General Information
Structure
Molecular Formula
C₉H₉N₃O
Molecular Mass
175.18726
Exact Mass
175.07456192
Charge
0
InChI
InChI=1S/C9H9N3O/c1-6-2-3-12-8(4-6)11-5-7(10)9(12)13/h2-5H,10H2,1H3
InChIKey
OGICTPKCAVTBMY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccn2c(c1)ncc(c2=O)N
Isomeric Smiles
c1(ccn2c(c1)ncc(c2=O)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.10258314
LogD (pH = 7.4)
-0.102577776
Log P
-0.10257771
Molar Refractivity
50.836
Polarizability
18.204063
Polar Surface Area
58.69
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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