Molecule

ID:101095

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O₂
Molecular Mass
150.13474
Exact Mass
150.04292744
Charge
0
InChI
InChI=1S/C7H6N2O2/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-3,10H,4H2
InChIKey
OKDMFOBEJCALFD-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc2c1non2
Isomeric Smiles
c12c(non1)cccc2CO
Calculated Properties
JChem
Acid pKa
14.858283
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.55591875
LogD (pH = 7.4)
0.5559187
Log P
0.55591875
Molar Refractivity
38.9507
Polarizability
15.431519
Polar Surface Area
59.15
Rotatable Bonds
1
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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