Molecule

ID:52569

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO
Molecular Mass
217.30676
Exact Mass
217.14666423
Charge
0
InChI
InChI=1S/C14H19NO/c1-11-10-14(16)8-9-15(11)12(2)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12-/m0/s1
InChIKey
XOGIRAQPVLKDBV-RYUDHWBXSA-N
Canonic Smiles
O=C1CCN([C@H](C1)C)[C@H](c1ccccc1)C
Isomeric Smiles
C1(=O)CCN([C@H](C1)C)[C@@H](C)c1ccccc1
Calculated Properties
JChem
Acid pKa
17.981724
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8309575
LogD (pH = 7.4)
2.4272058
Log P
2.730756
Molar Refractivity
65.9137
Polarizability
25.949856
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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