Molecule

ID:59681

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅NO₃
Molecular Mass
327.4174
Exact Mass
327.18344367
Charge
0
InChI
InChI=1S/C20H25NO3/c22-18-16-11-5-4-10-15(16)17(19(23)24)20(12-6-1-7-13-20)21(18)14-8-2-3-9-14/h4-5,10-11,14,17H,1-3,6-9,12-13H2,(H,23,24)
InChIKey
ANKIAATVFMALOB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1c2ccccc2C(=O)N(C21CCCCC2)C1CCCC1
Isomeric Smiles
N1(C(=O)c2c(C(C31CCCCC3)C(=O)O)cccc2)C1CCCC1
Calculated Properties
JChem
Acid pKa
4.27141
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5157745
LogD (pH = 7.4)
0.78361446
Log P
3.76752
Molar Refractivity
91.6423
Polarizability
35.424366
Polar Surface Area
57.61
Rotatable Bonds
2
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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