Molecule
ID:52687
General Information
Molecular Formula
C₁₉H₁₁N₃O₂
Molecular Mass
313.30954
Exact Mass
313.08512661
Charge
0
InChI
InChI=1S/C19H11N3O2/c1-3-7-16-14(5-1)21-18(23-16)12-9-13(11-20-10-12)19-22-15-6-2-4-8-17(15)24-19/h1-11H
InChIKey
GIADVFNOWQYXSX-UHFFFAOYSA-N
Canonic Smiles
n1cc(cc(c1)c1nc2c(o1)cccc2)c1nc2c(o1)cccc2
Isomeric Smiles
c1c(cc(cn1)c1oc2c(n1)cccc2)c1oc2ccccc2n1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4980967
LogD (pH = 7.4)
3.49835
Log P
3.498353
Molar Refractivity
107.4345
Polarizability
37.08178
Polar Surface Area
64.95
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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