Molecule

ID:60037

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄O₂
Molecular Mass
156.14262
Exact Mass
156.06472552
Charge
0
InChI
InChI=1S/C5H8N4O2/c1-9-3(7)2(6)4(10)8-5(9)11/h6-7H2,1H3,(H,8,10,11)
InChIKey
PSIJQVXIJHUQPJ-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]c(=O)c(c(n1C)N)N
Isomeric Smiles
n1(c(c(c(=O)[nH]c1=O)N)N)C
Calculated Properties
JChem
Acid pKa
8.44645
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.017305
LogD (pH = 7.4)
-2.053744
Log P
-2.0168195
Molar Refractivity
47.4269
Polarizability
13.817019
Polar Surface Area
101.45
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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