Molecule

ID:16107

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O
Molecular Mass
134.13534
Exact Mass
134.04801282
Charge
0
InChI
InChI=1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
InChIKey
JPBLHOJFMBOCAF-UHFFFAOYSA-N
Canonic Smiles
Nc1nc2c(o1)cccc2
Isomeric Smiles
n1c(oc2c1cccc2)N
Calculated Properties
JChem
Acid pKa
13.864618
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1748914
LogD (pH = 7.4)
1.1751856
Log P
1.1751895
Molar Refractivity
36.8968
Polarizability
14.958881
Polar Surface Area
52.05
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
References
Bioactivity
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