Molecule

ID:111761

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₂
Molecular Mass
214.22
Exact Mass
214.07422757
Charge
0
InChI
InChI=1S/C12H10N2O2/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16/h1-8,15-16H
InChIKey
JFEVWPNAOCPRHQ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1/N=N/c1ccccc1O
Isomeric Smiles
Oc1ccccc1/N=N/c1ccccc1O
Calculated Properties
JChem
Acid pKa
7.714429
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.7693865
LogD (pH = 7.4)
3.6019602
Log P
3.772009
Molar Refractivity
64.3388
Polarizability
22.774073
Polar Surface Area
65.18
Rotatable Bonds
2
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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