Molecule

ID:37153

General Information
Structure
MolImage
Molecular Formula
C₆H₅N₃O
Molecular Mass
135.1234
Exact Mass
135.0432618
Charge
0
InChI
InChI=1S/C6H5N3O/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H2,7,9)
InChIKey
NIHLEQFZWNKMEY-UHFFFAOYSA-N
Canonic Smiles
Nc1noc2c1cccn2
Isomeric Smiles
n1c(c2c(o1)nccc2)N
Calculated Properties
JChem
Acid pKa
16.133919
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.27197278
LogD (pH = 7.4)
0.2719901
Log P
0.2719903
Molar Refractivity
36.6373
Polarizability
13.421039
Polar Surface Area
64.94
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
No Data Available
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Molecule Details
References
Bioactivity
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