Molecule

ID:66689

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O
Molecular Mass
110.11394
Exact Mass
110.04801282
Charge
0
InChI
InChI=1S/C5H6N2O/c6-5-3-4(8)1-2-7-5/h1-3H,(H3,6,7,8)
InChIKey
HQNIMNQVKVPZES-UHFFFAOYSA-N
Canonic Smiles
Oc1ccnc(c1)N
Isomeric Smiles
c1(cc(ccn1)O)N
Calculated Properties
JChem
Acid pKa
10.431408
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.18469875
LogD (pH = 7.4)
0.21670228
Log P
0.21753964
Molar Refractivity
30.8959
Polarizability
11.183189
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
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References
Bioactivity
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