Molecule

ID:78961

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O
Molecular Mass
137.13928
Exact Mass
137.05891186
Charge
0
InChI
InChI=1S/C6H7N3O/c7-5-3-9-2-1-4(5)6(8)10/h1-3H,7H2,(H2,8,10)
InChIKey
MRZUGOPPUMNHGA-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccncc1N
Isomeric Smiles
n1cc(c(cc1)C(=O)N)N
Calculated Properties
JChem
Acid pKa
14.122762
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.57991374
LogD (pH = 7.4)
-0.5728038
Log P
-0.57271224
Molar Refractivity
37.6799
Polarizability
13.4382715
Polar Surface Area
82.0
Rotatable Bonds
1
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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