Molecule

ID:11163

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₈N₂O₄
Molecular Mass
372.45802
Exact Mass
372.20490739
Charge
0
InChI
InChI=1S/C21H28N2O4/c24-19(14-7-3-1-4-8-14)22-17-11-16(21(26)27)12-18(13-17)23-20(25)15-9-5-2-6-10-15/h11-15H,1-10H2,(H,22,24)(H,23,25)(H,26,27)
InChIKey
SGVKMYMWTMFTPH-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCCC1)Nc1cc(NC(=O)C2CCCCC2)cc(c1)C(=O)O
Isomeric Smiles
C(=O)(Nc1cc(NC(=O)C2CCCCC2)cc(C(=O)O)c1)C1CCCCC1
Calculated Properties
JChem
Acid pKa
3.7642038
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
2.5964787
LogD (pH = 7.4)
1.054797
Log P
4.333254
Molar Refractivity
105.4446
Polarizability
39.389584
Polar Surface Area
95.5
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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