Molecule

ID:34951

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O₂
Molecular Mass
153.13868
Exact Mass
153.05382648
Charge
0
InChI
InChI=1S/C6H7N3O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3,(H2,7,9)
InChIKey
INCSQLZZXBPATR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nccnc1N
Isomeric Smiles
c1(C(=O)OC)c(nccn1)N
Calculated Properties
JChem
LogD (pH = 7.4)
0.14
LogD (pH = 5.5)
0.14
Log P
0.14
Rotatable Bonds
2
H Donor
1
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
1.73
Polar Surface Area
78.10
Polarizability
14.25
Molar Refractivity
38.41
LOG S
0.04
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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