Molecule

ID:87347

General Information
Structure
Molecular Formula
C₅H₇N₃O
Molecular Mass
125.12858
Exact Mass
125.05891186
Charge
0
InChI
InChI=1S/C5H7N3O/c1-9-5-4(6)2-7-3-8-5/h2-3H,6H2,1H3
InChIKey
GNGTVTHIGJBTNV-UHFFFAOYSA-N
Canonic Smiles
COc1ncncc1N
Isomeric Smiles
n1c(c(cnc1)N)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.343889
LogD (pH = 7.4)
-0.34242296
Log P
-0.34240425
Molar Refractivity
34.1994
Polarizability
12.236308
Polar Surface Area
61.03
Rotatable Bonds
1
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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