Molecule

ID:41920

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₇NO₃
Molecular Mass
269.37978
Exact Mass
269.19909373
Charge
0
InChI
InChI=1S/C15H27NO3/c1-13(2)15(19)16-12-10-8-6-4-3-5-7-9-11-14(17)18/h1,3-12H2,2H3,(H,16,19)(H,17,18)
InChIKey
YWRMFVZWFSDHFF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCCNC(=O)C(=C)C
Isomeric Smiles
C(=O)(C(=C)C)NCCCCCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.9525447
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.804915
LogD (pH = 7.4)
1.0459267
Log P
3.460869
Molar Refractivity
76.1134
Polarizability
29.836948
Polar Surface Area
66.4
Rotatable Bonds
12
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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