Molecule

ID:34862

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₃
Molecular Mass
271.31108
Exact Mass
271.12084341
Charge
0
InChI
InChI=1S/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)
InChIKey
KAFHLONDOVSENM-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)O)Cc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
C(=O)(C(Cc1ccc(OCc2ccccc2)cc1)N)O
Calculated Properties
JChem
Acid pKa
1.9508076
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.38191238
LogD (pH = 7.4)
0.3785746
Log P
0.3818868
Molar Refractivity
76.1921
Polarizability
29.993883
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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