Molecule

ID:82108

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄O
Molecular Mass
140.14322
Exact Mass
140.0698109
Charge
0
InChI
InChI=1S/C5H8N4O/c1-3-2-4(10)8-5(7-3)9-6/h2H,6H2,1H3,(H2,7,8,9,10)
InChIKey
RFKCQKWRFAJRPY-UHFFFAOYSA-N
Canonic Smiles
NNc1nc(C)cc(n1)O
Isomeric Smiles
n1c(cc(nc1NN)C)O
Calculated Properties
JChem
Acid pKa
12.352886
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.5059456
LogD (pH = 7.4)
0.53955734
Log P
0.54242647
Molar Refractivity
39.2609
Polarizability
13.524768
Polar Surface Area
84.06
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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