Molecule

ID:58790

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₂
Molecular Mass
240.25728
Exact Mass
240.08987763
Charge
0
InChI
InChI=1S/C14H12N2O2/c17-13-5-1-11(2-6-13)9-15-16-10-12-3-7-14(18)8-4-12/h1-10,17-18H/b15-9+,16-10+
InChIKey
UKWBKIBZVTUBQP-KAVGSWPWSA-N
Canonic Smiles
Oc1ccc(cc1)/C=N/N=C/c1ccc(cc1)O
Isomeric Smiles
c1(ccc(cc1)/C=N/N=C/c1ccc(cc1)O)O
Calculated Properties
JChem
Acid pKa
8.731969
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.8328748
LogD (pH = 7.4)
2.8132644
Log P
2.8331277
Molar Refractivity
71.76
Polarizability
26.239946
Polar Surface Area
65.18
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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