Molecule

ID:30406

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₅O
Molecular Mass
165.15268
Exact Mass
165.06505987
Charge
0
InChI
InChI=1S/C6H7N5O/c1-3-4(7)5(12)11-6(10-3)8-2-9-11/h2,12H,7H2,1H3
InChIKey
ROUIPEPDOONNQC-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2ncnn2c(c1N)O
Isomeric Smiles
n12c(c(c(nc1ncn2)C)N)O
Calculated Properties
JChem
Acid pKa
9.213894
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.69936794
LogD (pH = 7.4)
-0.7057974
Log P
-0.6992775
Molar Refractivity
54.131
Polarizability
15.128028
Polar Surface Area
89.33
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
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Molecule Details
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References
Bioactivity
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