Molecule

ID:54164

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₃
Molecular Mass
269.2952
Exact Mass
269.10519335
Charge
0
InChI
InChI=1S/C16H15NO3/c1-3-20-16(19)14-11(2)8-9-17-15(14)13-6-4-12(10-18)5-7-13/h4-10H,3H2,1-2H3
InChIKey
HJIINDMYBPOECP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)ccnc1c1ccc(cc1)C=O
Isomeric Smiles
c1(c(nccc1C)c1ccc(cc1)C=O)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3611536
LogD (pH = 7.4)
3.3746822
Log P
3.3748577
Molar Refractivity
77.0644
Polarizability
30.310244
Polar Surface Area
56.26
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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