Molecule

ID:129953

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₅O₂
Molecular Mass
193.16278
Exact Mass
193.05997449
Charge
0
InChI
InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
InChIKey
SLGRAIAQIAUZAQ-UHFFFAOYSA-N
Canonic Smiles
O=c1nc2n(C)ncnc2c(=O)n1C
Isomeric Smiles
O=c1nc2c(ncnn2C)c(=O)n1C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-1.1184458
LogD (pH = 7.4)
-1.1184458
Log P
-1.1184458
Molar Refractivity
46.0117
Polarizability
16.948042
Polar Surface Area
77.7
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
References
Bioactivity
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