Molecule
ID:71791
General Information
Molecular Formula
C₅H₈N₄O
Molecular Mass
140.14322
Exact Mass
140.0698109
Charge
0
InChI
InChI=1S/C5H8N4O/c6-8-5(10)4-9-3-1-2-7-9/h1-3H,4,6H2,(H,8,10)
InChIKey
NJBHEQPBKPVVCC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Cn1cccn1
Isomeric Smiles
n1(cccn1)CC(=O)NN
Calculated Properties
JChem
Acid pKa
12.022597
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2277238
LogD (pH = 7.4)
-1.224382
Log P
-1.2243291
Molar Refractivity
47.3523
Polarizability
13.506409
Polar Surface Area
72.94
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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