Molecule

ID:91145

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO
Molecular Mass
235.28052
Exact Mass
235.09971404
Charge
0
InChI
InChI=1S/C16H13NO/c17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,17H2
InChIKey
PYGYJLHOEOYGIA-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1cccc2c1cccc2
Isomeric Smiles
O(c1cccc2c1cccc2)c1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.600815
LogD (pH = 7.4)
3.6336486
Log P
3.6340837
Molar Refractivity
73.4494
Polarizability
29.426813
Polar Surface Area
35.25
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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