Molecule

ID:120279

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₃
Molecular Mass
261.31626
Exact Mass
261.13649347
Charge
0
InChI
InChI=1S/C15H19NO3/c1-19-10-9-16-11-12(5-4-8-15(17)18)13-6-2-3-7-14(13)16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,18)
InChIKey
OYUQOUNNXUNJJE-UHFFFAOYSA-N
Canonic Smiles
COCCn1cc(c2c1cccc2)CCCC(=O)O
Isomeric Smiles
n1(cc(c2c1cccc2)CCCC(=O)O)CCOC
Calculated Properties
JChem
Acid pKa
4.691818
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9054548
LogD (pH = 7.4)
0.12760355
Log P
2.775594
Molar Refractivity
73.5943
Polarizability
29.539722
Polar Surface Area
51.46
Rotatable Bonds
7
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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