Molecule

ID:40672

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₂
Molecular Mass
257.32756
Exact Mass
257.14157885
Charge
0
InChI
InChI=1S/C16H19NO2/c17-16(10-11-18)14-6-8-15(9-7-14)19-12-13-4-2-1-3-5-13/h1-9,16,18H,10-12,17H2
InChIKey
LTGQQRZGPYYPNY-UHFFFAOYSA-N
Canonic Smiles
OCCC(c1ccc(cc1)OCc1ccccc1)N
Isomeric Smiles
c1(ccc(OCc2ccccc2)cc1)C(N)CCO
Calculated Properties
JChem
Acid pKa
15.912958
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.8806197
LogD (pH = 7.4)
0.14293203
Log P
2.0954409
Molar Refractivity
76.4351
Polarizability
30.121933
Polar Surface Area
55.48
Rotatable Bonds
6
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
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References
Bioactivity
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