Molecule

ID:101587

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₅O
Molecular Mass
153.14198
Exact Mass
153.06505987
Charge
0
InChI
InChI=1S/C5H7N5O/c6-4-3(5(11)10-7)8-1-2-9-4/h1-2H,7H2,(H2,6,9)(H,10,11)
InChIKey
NSBRFKAXSNUXQO-UHFFFAOYSA-N
Canonic Smiles
Nc1nccnc1C(=O)NN
Isomeric Smiles
c1(C(=O)NN)c(nccn1)N
Calculated Properties
JChem
Acid pKa
13.501688
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.1071105
LogD (pH = 7.4)
-1.1065599
Log P
-1.1065525
Molar Refractivity
39.9486
Polarizability
14.04256
Polar Surface Area
106.92
Rotatable Bonds
1
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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