Molecule

ID:10294

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃O
Molecular Mass
151.16586
Exact Mass
151.07456192
Charge
0
InChI
InChI=1S/C7H9N3O/c1-5(11)10-7-3-2-6(8)4-9-7/h2-4H,8H2,1H3,(H,9,10,11)
InChIKey
SXGURHSLXPDJBC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cn1)N
Isomeric Smiles
N(c1ncc(N)cc1)C(=O)C
Calculated Properties
JChem
Acid pKa
12.648515
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.2794837
LogD (pH = 7.4)
-0.24169303
Log P
-0.24118467
Molar Refractivity
43.778
Polarizability
15.4674635
Polar Surface Area
68.01
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
No Data Available
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Molecule Details
References
Bioactivity
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