Molecule

ID:71045

General Information
Structure
Molecular Formula
C₇H₉N₃O
Molecular Mass
151.16586
Exact Mass
151.07456192
Charge
0
InChI
InChI=1S/C7H9N3O/c8-7(11)6-4-2-1-3-5(4)9-10-6/h1-3H2,(H2,8,11)(H,9,10)
InChIKey
RUYWILNRQBUQRK-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1n[nH]c2c1CCC2
Isomeric Smiles
c1(n[nH]c2c1CCC2)C(=O)N
Calculated Properties
JChem
Acid pKa
13.361849
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.28569517
LogD (pH = 7.4)
0.28569937
Log P
0.28569964
Molar Refractivity
41.3645
Polarizability
14.670061
Polar Surface Area
71.77
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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