Molecule

ID:64429

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O
Molecular Mass
134.13534
Exact Mass
134.04801282
Charge
0
InChI
InChI=1S/C7H6N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h1-4,10H,(H,8,9)
InChIKey
ZHDXWEPRYNHNDC-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)cn[nH]2
Isomeric Smiles
n1[nH]c2c(c1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
9.458612
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.99265605
LogD (pH = 7.4)
0.9889877
Log P
0.99274236
Molar Refractivity
38.054
Polarizability
15.247064
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
References
Bioactivity
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