Molecule

ID:37006

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO₃
Molecular Mass
267.27932
Exact Mass
267.08954328
Charge
0
InChI
InChI=1S/C16H13NO3/c1-19-16(18)12-6-8-15(9-7-12)20-11-14-5-3-2-4-13(14)10-17/h2-9H,11H2,1H3
InChIKey
HGMWXYYCYWFKMF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OCc1ccccc1C#N
Isomeric Smiles
c1cccc(c1C#N)COc1ccc(cc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3996208
LogD (pH = 7.4)
3.3996208
Log P
3.3996208
Molar Refractivity
74.8807
Polarizability
28.682076
Polar Surface Area
59.32
Rotatable Bonds
5
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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