Molecule

ID:125415

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO
Molecular Mass
217.30676
Exact Mass
217.14666423
Charge
0
InChI
InChI=1S/C14H19NO/c1-11-5-7-13(8-6-11)14(16)12(2)15-9-3-4-10-15/h5-8,12H,3-4,9-10H2,1-2H3
InChIKey
APSJUNFBAXIXLK-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)c1ccc(cc1)C)N1CCCC1
Isomeric Smiles
Cc1ccc(cc1)C(=O)C(C)N1CCCC1
Calculated Properties
JChem
Acid pKa
17.565632
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.94965225
LogD (pH = 7.4)
2.573835
Log P
2.9103749
Molar Refractivity
66.9659
Polarizability
25.851145
Polar Surface Area
20.31
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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