Molecule

ID:91160

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O₂
Molecular Mass
150.13474
Exact Mass
150.04292744
Charge
0
InChI
InChI=1S/C7H6N2O2/c8-7-4-5(9-11-7)6-2-1-3-10-6/h1-4H,8H2
InChIKey
MKXZGFIJQYOAAA-UHFFFAOYSA-N
Canonic Smiles
Nc1onc(c1)c1ccco1
Isomeric Smiles
o1cccc1c1noc(c1)N
Calculated Properties
JChem
Acid pKa
15.534235
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.69147485
LogD (pH = 7.4)
0.69147855
Log P
0.6914786
Molar Refractivity
38.6088
Polarizability
15.285115
Polar Surface Area
65.19
Rotatable Bonds
1
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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