Molecule

ID:13292

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₄
Molecular Mass
299.32118
Exact Mass
299.11575803
Charge
0
InChI
InChI=1S/C17H17NO4/c19-16(18-11-10-17(20)21)12-22-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19)(H,20,21)
InChIKey
VMWUNRVLMUZGPH-UHFFFAOYSA-N
Canonic Smiles
O=C(COc1ccc(cc1)c1ccccc1)NCCC(=O)O
Isomeric Smiles
c1cccc(c1)c1ccc(cc1)OCC(=O)NCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.8423512
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.41120976
LogD (pH = 7.4)
-1.1699072
Log P
2.0725126
Molar Refractivity
81.2449
Polarizability
32.868294
Polar Surface Area
75.63
Rotatable Bonds
7
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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