Molecule

ID:56198

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₉NO₃
Molecular Mass
319.43846
Exact Mass
319.21474379
Charge
0
InChI
InChI=1S/C19H29NO3/c1-2-3-4-5-6-7-8-9-10-14-18(21)20-17-13-11-12-16(15-17)19(22)23/h11-13,15H,2-10,14H2,1H3,(H,20,21)(H,22,23)
InChIKey
VIUQAJGCGOXPGF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(=O)Nc1cccc(c1)C(=O)O
Isomeric Smiles
C(=O)(c1cc(ccc1)NC(=O)CCCCCCCCCCC)O
Calculated Properties
JChem
Acid pKa
3.9196687
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.98345
LogD (pH = 7.4)
2.3668742
Log P
5.570193
Molar Refractivity
94.2131
Polarizability
35.944077
Polar Surface Area
66.4
Rotatable Bonds
12
Lipinski's Rule of Five
false
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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