Molecule

ID:117868

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₃
Molecular Mass
271.31108
Exact Mass
271.12084341
Charge
0
InChI
InChI=1S/C16H17NO3/c1-17(19-2)16(18)14-8-10-15(11-9-14)20-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKey
MYSYRZXOLSGCFC-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)c1ccc(cc1)OCc1ccccc1)C
Isomeric Smiles
C(=O)(N(OC)C)c1ccc(OCc2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9891431
LogD (pH = 7.4)
2.9891431
Log P
2.9891431
Molar Refractivity
77.3558
Polarizability
29.6372
Polar Surface Area
38.77
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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