Molecule

ID:70562

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₅NaO₃
Molecular Mass
247.18647
Exact Mass
247.06813349
Charge
0
InChI
InChI=1S/C8H10N5O3.Na/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;/h3H,1-2,4H2,(H3,9,11,12,15);/q-1;+1
InChIKey
DZPBMANDXYVOIB-UHFFFAOYSA-N
Canonic Smiles
[O-]CCOCn1cnc2c1nc(N)[nH]c2=O.[Na+]
Isomeric Smiles
[Na+].C(COCn1cnc2c1nc([nH]c2=O)N)[O-]
Calculated Properties
JChem
Acid pKa
10.159839
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-1.5496677
LogD (pH = 7.4)
-1.550233
Log P
-1.5495676
Molar Refractivity
65.6171
Polarizability
19.713034
Polar Surface Area
117.59
Rotatable Bonds
4
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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