Molecule

ID:74228

General Information
Structure
MolImage
Molecular Formula
C₈H₄N₄O
Molecular Mass
172.14356
Exact Mass
172.03851077
Charge
0
InChI
InChI=1S/C8H4N4O/c1-2-7-8(12-13-11-7)5-3-4-9-10-6(1)5/h1-4H
InChIKey
ROYWDHJBGXPIPF-UHFFFAOYSA-N
Canonic Smiles
c1nnc2c(c1)c1nonc1cc2
Isomeric Smiles
n1c2c3ccnnc3ccc2no1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.50103813
LogD (pH = 7.4)
0.50115174
Log P
0.50115323
Molar Refractivity
45.9194
Polarizability
18.712688
Polar Surface Area
64.7
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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