Molecule

ID:54252

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₂
Molecular Mass
233.30616
Exact Mass
233.14157885
Charge
0
InChI
InChI=1S/C14H19NO2/c1-3-17-14(16)13-10-15(2)9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKey
JASVXEYIDKFYPJ-QWHCGFSZSA-N
Canonic Smiles
CCOC(=O)[C@@H]1CN(C[C@H]1c1ccccc1)C
Isomeric Smiles
[C@@H]1([C@H](C(=O)OCC)CN(C1)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.0825864
LogD (pH = 7.4)
0.60762495
Log P
1.9760977
Molar Refractivity
67.6993
Polarizability
26.623085
Polar Surface Area
29.54
Rotatable Bonds
4
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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