Molecule

ID:69577

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O
Molecular Mass
134.13534
Exact Mass
134.04801282
Charge
0
InChI
InChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
InChIKey
SILNNFMWIMZVEQ-UHFFFAOYSA-N
Canonic Smiles
Oc1nc2c([nH]1)cccc2
Isomeric Smiles
c1(nc2c([nH]1)cccc2)O
Calculated Properties
JChem
Acid pKa
10.374127
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6374646
LogD (pH = 7.4)
1.6397003
Log P
1.6401887
Molar Refractivity
36.4227
Polarizability
15.260654
Polar Surface Area
48.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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