Molecule

ID:64546

General Information
Structure
MolImage
Molecular Formula
C₇H₃N₅O
Molecular Mass
173.13162
Exact Mass
173.03375974
Charge
0
InChI
InChI=1S/C7H3N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H2,9,12,13)
InChIKey
CXOHWJIYWYQKAT-UHFFFAOYSA-N
Canonic Smiles
N#CC1=C2C(=O)N=C(N=C2N=C1)N
Isomeric Smiles
C12=NC(=NC(=O)C1=C(C=N2)C#N)N
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.8500177
LogD (pH = 7.4)
-1.8500168
Log P
-1.8500168
Molar Refractivity
42.9899
Polarizability
15.282223
Polar Surface Area
103.96
Rotatable Bonds
0
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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