Molecule
ID:53165
General Information
Molecular Formula
C₁₉H₁₁N₃O₂
Molecular Mass
313.30954
Exact Mass
313.08512661
Charge
0
InChI
InChI=1S/C19H11N3O2/c1-3-10-16-12(6-1)21-18(23-16)14-8-5-9-15(20-14)19-22-13-7-2-4-11-17(13)24-19/h1-11H
InChIKey
LABDAMKZNFRJIA-UHFFFAOYSA-N
Canonic Smiles
c1cc(nc(c1)c1nc2c(o1)cccc2)c1nc2c(o1)cccc2
Isomeric Smiles
c1c(nc(cc1)c1nc2c(o1)cccc2)c1oc2c(n1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.2700534
LogD (pH = 7.4)
4.270054
Log P
4.270054
Molar Refractivity
106.6905
Polarizability
37.098156
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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