Molecule

ID:73876

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO
Molecular Mass
217.30676
Exact Mass
217.14666423
Charge
0
InChI
InChI=1S/C14H19NO/c1-12(16)13-6-8-14(9-7-13)15-10-4-2-3-5-11-15/h6-9H,2-5,10-11H2,1H3
InChIKey
DAGCDTAHALGDJT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)N1CCCCCC1
Isomeric Smiles
N1(c2ccc(cc2)C(=O)C)CCCCCC1
Calculated Properties
JChem
Acid pKa
16.566345
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.899172
LogD (pH = 7.4)
2.9334173
Log P
2.933872
Molar Refractivity
67.6324
Polarizability
25.532633
Polar Surface Area
20.31
Rotatable Bonds
2
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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