Molecule

ID:43645

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₁NO₄
Molecular Mass
339.38504
Exact Mass
339.14705816
Charge
0
InChI
InChI=1S/C20H21NO4/c1-25-16-9-7-15(8-10-16)19-17(20(23)24)11-12-18(22)21(19)13-14-5-3-2-4-6-14/h2-10,17,19H,11-13H2,1H3,(H,23,24)
InChIKey
YIEUICZEWBOXGY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1C(CCC(=O)N1Cc1ccccc1)C(=O)O
Isomeric Smiles
N1(C(C(C(=O)O)CCC1=O)c1ccc(cc1)OC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
4.2499065
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5467547
LogD (pH = 7.4)
-0.18055907
Log P
2.8183293
Molar Refractivity
93.2001
Polarizability
36.318375
Polar Surface Area
66.84
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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