Molecule

ID:101274

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₂
Molecular Mass
233.30616
Exact Mass
233.14157885
Charge
0
InChI
InChI=1S/C14H19NO2/c1-17-14(16)13-7-5-12(6-8-13)11-15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3
InChIKey
VSUPXUIIYYFQDG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)CN1CCCCC1
Isomeric Smiles
C(=O)(c1ccc(CN2CCCCC2)cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.34108177
LogD (pH = 7.4)
1.321338
Log P
2.7684858
Molar Refractivity
68.768
Polarizability
26.590666
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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