Molecule

ID:29004

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₂
Molecular Mass
237.33792
Exact Mass
237.17287898
Charge
0
InChI
InChI=1S/C14H23NO2/c1-14(2,3)15-11-12-5-7-13(8-6-12)17-10-9-16-4/h5-8,15H,9-11H2,1-4H3
InChIKey
CYKWTOXTWITGRI-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)CNC(C)(C)C
Isomeric Smiles
N(C(C)(C)C)Cc1ccc(cc1)OCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.82893366
LogD (pH = 7.4)
-0.0105712665
Log P
2.3809075
Molar Refractivity
70.6183
Polarizability
27.96024
Polar Surface Area
30.49
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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