Molecule

ID:87333

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O
Molecular Mass
134.13534
Exact Mass
134.04801282
Charge
0
InChI
InChI=1S/C7H6N2O/c10-6-3-1-2-5-4-8-9-7(5)6/h1-4,10H,(H,8,9)
InChIKey
VEDLFQPHHBOHIR-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc2c1[nH]nc2
Isomeric Smiles
[nH]1c2c(cccc2cn1)O
Calculated Properties
JChem
Acid pKa
9.168672
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.9925682
LogD (pH = 7.4)
0.98547155
Log P
0.99274236
Molar Refractivity
38.054
Polarizability
15.252088
Polar Surface Area
48.91
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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