Molecule

ID:40748

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃O₂
Molecular Mass
155.15456
Exact Mass
155.06947654
Charge
0
InChI
InChI=1S/C6H9N3O2/c1-9(2)6-7-4(10)3-5(11)8-6/h3H,1-2H3,(H2,7,8,10,11)
InChIKey
ISZVFAGBGUCFPT-UHFFFAOYSA-N
Canonic Smiles
CN(c1nc(O)cc(n1)O)C
Isomeric Smiles
c1(nc(cc(n1)O)O)N(C)C
Calculated Properties
JChem
Acid pKa
11.999576
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.4183462
LogD (pH = 7.4)
1.4183389
Log P
1.4183497
Molar Refractivity
41.6857
Polarizability
14.654474
Polar Surface Area
69.48
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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