Molecule

ID:35162

General Information
Structure
Molecular Formula
C₁₆H₁₇NO₃
Molecular Mass
271.31108
Exact Mass
271.12084341
Charge
0
InChI
InChI=1S/C16H17NO3/c17-15(10-16(18)19)13-7-4-8-14(9-13)20-11-12-5-2-1-3-6-12/h1-9,15H,10-11,17H2,(H,18,19)
InChIKey
WEVLKELFUCFYHL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1cccc(c1)OCc1ccccc1)N
Isomeric Smiles
C(C(=O)O)C(c1cc(OCc2ccccc2)ccc1)N
Calculated Properties
JChem
Acid pKa
3.473221
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.17468213
LogD (pH = 7.4)
0.17631204
Log P
0.17728269
Molar Refractivity
76.0614
Polarizability
29.99153
Polar Surface Area
72.55
Rotatable Bonds
6
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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