Molecule

ID:20555

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₃
Molecular Mass
271.31108
Exact Mass
271.12084341
Charge
0
InChI
InChI=1S/C16H17NO3/c1-11-9-14(7-8-15(11)17)20-13-5-3-12(4-6-13)10-16(18)19-2/h3-9H,10,17H2,1-2H3
InChIKey
JGLGQEOZINKOGQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccc(cc1)Oc1ccc(c(c1)C)N
Isomeric Smiles
c1(c(ccc(c1)Oc1ccc(CC(=O)OC)cc1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9215946
LogD (pH = 7.4)
2.9414122
Log P
2.941671
Molar Refractivity
78.1171
Polarizability
29.843708
Polar Surface Area
61.55
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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