Molecule

ID:88151

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃O
Molecular Mass
139.15516
Exact Mass
139.07456192
Charge
0
InChI
InChI=1S/C6H9N3O/c1-2-10-6-4-8-5(7)3-9-6/h3-4H,2H2,1H3,(H2,7,8)
InChIKey
NFENSUDOADHXHX-UHFFFAOYSA-N
Canonic Smiles
CCOc1cnc(cn1)N
Isomeric Smiles
n1c(cnc(c1)OCC)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.096974656
LogD (pH = 7.4)
0.0970261
Log P
0.09702676
Molar Refractivity
38.2834
Polarizability
14.063291
Polar Surface Area
61.03
Rotatable Bonds
2
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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