Molecule

ID:53164

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₂N₂O₂
Molecular Mass
312.32148
Exact Mass
312.08987763
Charge
0
InChI
InChI=1S/C20H12N2O2/c1-3-10-17-15(8-1)21-19(23-17)13-6-5-7-14(12-13)20-22-16-9-2-4-11-18(16)24-20/h1-12H
InChIKey
RYDGJSHONGAQOS-UHFFFAOYSA-N
Canonic Smiles
c1cc(cc(c1)c1nc2c(o1)cccc2)c1nc2c(o1)cccc2
Isomeric Smiles
c1c(cc(cc1)c1nc2c(o1)cccc2)c1oc2c(n1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.716022
LogD (pH = 7.4)
4.7160254
Log P
4.7160254
Molar Refractivity
109.5914
Polarizability
38.018654
Polar Surface Area
52.06
Rotatable Bonds
2
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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