Molecule

ID:132925

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁N₃O
Molecular Mass
213.23524
Exact Mass
213.09021199
Charge
0
InChI
InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3/b15-14+
InChIKey
LOCPVWIREQIGNQ-CCEZHUSRSA-N
Canonic Smiles
Cc1ccc(c(n1)/N=N/c1ccccc1)O
Isomeric Smiles
Cc1ccc(c(n1)/N=N/c1ccccc1)O
Calculated Properties
JChem
Acid pKa
7.5576477
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.580017
LogD (pH = 7.4)
3.3610299
Log P
3.5837295
Molar Refractivity
65.106
Polarizability
23.041935
Polar Surface Area
57.84
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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