Molecule

ID:56157

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₃
Molecular Mass
283.32178
Exact Mass
283.12084341
Charge
0
InChI
InChI=1S/C17H17NO3/c1-11-3-5-13(6-4-11)16(19)12(2)21-17(20)14-7-9-15(18)10-8-14/h3-10,12H,18H2,1-2H3
InChIKey
IQKYKZPHTUXGGU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)C(OC(=O)c1ccc(cc1)N)C
Isomeric Smiles
c1(ccc(cc1)C(=O)OC(C(=O)c1ccc(cc1)C)C)N
Calculated Properties
JChem
Acid pKa
14.07356
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4616215
LogD (pH = 7.4)
3.4621973
Log P
3.462205
Molar Refractivity
82.2205
Polarizability
30.977697
Polar Surface Area
69.39
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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