Molecule

ID:53819

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃O
Molecular Mass
151.16586
Exact Mass
151.07456192
Charge
0
InChI
InChI=1S/C7H9N3O/c1-4-2-5(8)6(7(9)11)10-3-4/h2-3H,8H2,1H3,(H2,9,11)
InChIKey
REXAHTHRDYOUDP-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(c1)N)C(=O)N
Isomeric Smiles
c1(cnc(c(c1)N)C(=O)N)C
Calculated Properties
JChem
Acid pKa
14.858584
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.3264127
LogD (pH = 7.4)
0.3265576
Log P
0.32655945
Molar Refractivity
42.3491
Polarizability
15.199836
Polar Surface Area
82.0
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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