Molecule

ID:66516

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O
Molecular Mass
110.11394
Exact Mass
110.04801282
Charge
0
InChI
InChI=1S/C5H6N2O/c1-4-6-3-2-5(8)7-4/h2-3H,1H3,(H,6,7,8)
InChIKey
QWIDYOLZFAQBOB-UHFFFAOYSA-N
Canonic Smiles
Oc1ccnc(n1)C
Isomeric Smiles
c1(nc(ccn1)O)C
Calculated Properties
JChem
Acid pKa
12.563592
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.90161604
LogD (pH = 7.4)
0.901644
Log P
0.90164727
Molar Refractivity
29.6411
Polarizability
10.931211
Polar Surface Area
46.01
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
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Molecule Details
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References
Bioactivity
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