Molecule

ID:10927

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₄
Molecular Mass
293.35812
Exact Mass
293.16270822
Charge
0
InChI
InChI=1S/C16H23NO4/c1-12(2)21-14-9-7-13(8-10-14)16(20)17-11-5-3-4-6-15(18)19/h7-10,12H,3-6,11H2,1-2H3,(H,17,20)(H,18,19)
InChIKey
ADKUSKGEMZYATO-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C(=O)NCCCCCC(=O)O)C
Isomeric Smiles
C(=O)(c1ccc(OC(C)C)cc1)NCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.117646
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1591424
LogD (pH = 7.4)
-0.5317034
Log P
2.5560684
Molar Refractivity
80.4047
Polarizability
30.940222
Polar Surface Area
75.63
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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