Molecule

ID:132038

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₅O
Molecular Mass
153.14198
Exact Mass
153.06505987
Charge
0
InChI
InChI=1S/C5H7N5O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)(H4,6,7,8,9)
InChIKey
MVYUVUOSXNYQLL-UHFFFAOYSA-N
Canonic Smiles
O=CNc1c(N)ncnc1N
Isomeric Smiles
c1nc(c(c(n1)N)NC=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-1.35
LogD (pH = 5.5)
-2.56
Log P
-1.23
Rotatable Bonds
1
H Donor
3
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
6.91
Polar Surface Area
106.92
Polarizability
13.86
Molar Refractivity
43.12
LOG S
-0.95
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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