Molecule

ID:104653

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₂
Molecular Mass
214.22
Exact Mass
214.07422757
Charge
0
InChI
InChI=1S/C12H10N2O2/c15-10-6-7-11(12(16)8-10)14-13-9-4-2-1-3-5-9/h1-8,15-16H
InChIKey
BPTKLSBRRJFNHJ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)O)/N=N/c1ccccc1
Isomeric Smiles
Oc1cc(O)c(cc1)/N=N/c1ccccc1
Calculated Properties
JChem
Acid pKa
8.543284
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.7716172
LogD (pH = 7.4)
3.7420616
Log P
3.772009
Molar Refractivity
64.3388
Polarizability
22.771315
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation