Molecule

ID:66743

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O
Molecular Mass
110.11394
Exact Mass
110.04801282
Charge
0
InChI
InChI=1S/C5H6N2O/c6-4-1-2-7-3-5(4)8/h1-3,8H,(H2,6,7)
InChIKey
DBDKLFOUWUHPDW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccncc1O
Isomeric Smiles
c1c(c(ccn1)N)O
Calculated Properties
JChem
Acid pKa
9.785842
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.3613249
LogD (pH = 7.4)
-1.2986343
Log P
-0.86170745
Molar Refractivity
30.5824
Polarizability
11.1832075
Polar Surface Area
59.14
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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