Molecule

ID:16833

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO₂
Molecular Mass
281.34896
Exact Mass
281.14157885
Charge
0
InChI
InChI=1S/C18H19NO2/c1-2-6-15(7-3-1)17(18-9-5-13-21-18)10-11-19-14-16-8-4-12-20-16/h1-9,12-13,17,19H,10-11,14H2
InChIKey
KLKJNZADXHNHED-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C(c1ccco1)CCNCc1ccco1
Isomeric Smiles
C(c1ccco1)(c1ccccc1)CCNCc1ccco1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.5837711
LogD (pH = 7.4)
2.2230103
Log P
3.4526603
Molar Refractivity
82.777
Polarizability
32.061783
Polar Surface Area
38.31
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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