Molecule
ID:40075
General Information
Molecular Formula
C₁₄H₁₁NO₂
Molecular Mass
225.24264
Exact Mass
225.0789786
Charge
0
InChI
InChI=1S/C14H11NO2/c1-16-12-6-8-13(9-7-12)17-14-5-3-2-4-11(14)10-15/h2-9H,1H3
InChIKey
POUCYJIZEHTDSO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Oc1ccccc1C#N
Isomeric Smiles
c1(c(Oc2ccc(cc2)OC)cccc1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.171958
LogD (pH = 7.4)
3.171958
Log P
3.171958
Molar Refractivity
64.4836
Polarizability
25.005629
Polar Surface Area
42.25
Rotatable Bonds
3
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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