Molecule

ID:17996

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉NO₂
Molecular Mass
269.33826
Exact Mass
269.14157885
Charge
0
InChI
InChI=1S/C17H19NO2/c18-15(8-6-13-4-2-1-3-5-13)14-7-9-16-17(12-14)20-11-10-19-16/h1-5,7,9,12,15H,6,8,10-11,18H2
InChIKey
GFLHSZDRSQBEES-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccc2c(c1)OCCO2)CCc1ccccc1
Isomeric Smiles
c12cc(ccc1OCCO2)C(CCc1ccccc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.12693231
LogD (pH = 7.4)
0.9248715
Log P
3.1296167
Molar Refractivity
79.1276
Polarizability
31.21625
Polar Surface Area
44.48
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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