Molecule

ID:17340

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O
Molecular Mass
137.13928
Exact Mass
137.05891186
Charge
0
InChI
InChI=1S/C6H7N3O/c1-7-6-8-2-5(4-10)3-9-6/h2-4H,1H3,(H,7,8,9)
InChIKey
FYDLRGFOAYUXIT-UHFFFAOYSA-N
Canonic Smiles
CNc1ncc(cn1)C=O
Isomeric Smiles
c1(cnc(nc1)NC)C=O
Calculated Properties
JChem
Acid pKa
15.754206
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.08638571
LogD (pH = 7.4)
-0.086200416
Log P
-0.08619805
Molar Refractivity
39.4461
Polarizability
13.450764
Polar Surface Area
54.88
Rotatable Bonds
2
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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