Molecule

ID:21073

General Information
Structure
Molecular Formula
C₁₇H₁₉NO₂
Molecular Mass
269.33826
Exact Mass
269.14157885
Charge
0
InChI
InChI=1S/C17H19NO2/c1-2-4-14(5-3-1)13-19-15-6-8-16(9-7-15)20-17-10-11-18-12-17/h1-9,17-18H,10-13H2
InChIKey
ZTKMKAZVKLSCPJ-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)Oc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
N1CCC(Oc2ccc(OCc3ccccc3)cc2)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.26471502
LogD (pH = 7.4)
0.2098606
Log P
2.9661748
Molar Refractivity
78.888
Polarizability
31.292469
Polar Surface Area
30.49
Rotatable Bonds
5
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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