Molecule

ID:64488

General Information
Structure
Molecular Formula
C₇H₆N₂O
Molecular Mass
134.13534
Exact Mass
134.04801282
Charge
0
InChI
InChI=1S/C7H6N2O/c10-9-5-1-2-6-3-4-8-7(6)9/h1-5,8H
InChIKey
ROGGVUMLTXEIDB-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1cccc2c1[nH]cc2
Isomeric Smiles
[n+]1(c2[nH]ccc2ccc1)[O-]
Calculated Properties
JChem
Acid pKa
15.2857895
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.88137674
LogD (pH = 7.4)
-0.88137674
Log P
-0.88137674
Molar Refractivity
37.3178
Polarizability
14.438259
Polar Surface Area
42.73
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
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Molecule Details
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References
Bioactivity
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