Molecule

ID:76680

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄O₂
Molecular Mass
156.14262
Exact Mass
156.06472552
Charge
0
InChI
InChI=1S/C5H8N4O2/c1-2-7-5(10)3-4(6)9-11-8-3/h2H2,1H3,(H2,6,9)(H,7,10)
InChIKey
SHEMHFLPXQDCPX-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)c1nonc1N
Isomeric Smiles
n1c(C(=O)NCC)c(no1)N
Calculated Properties
JChem
Acid pKa
11.368897
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.20540322
LogD (pH = 7.4)
-0.20544405
Log P
-0.20540269
Molar Refractivity
39.7942
Polarizability
13.314789
Polar Surface Area
94.04
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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