Molecule

ID:20766

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁NO
Molecular Mass
267.36544
Exact Mass
267.1623143
Charge
0
InChI
InChI=1S/C18H21NO/c1-2-6-16(7-3-1)17-8-4-5-9-18(17)20-14-15-10-12-19-13-11-15/h1-9,15,19H,10-14H2
InChIKey
GIUZGBNKXKPNHV-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)COc1ccccc1c1ccccc1
Isomeric Smiles
c1(c(OCC2CCNCC2)cccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.33573797
LogD (pH = 7.4)
0.7965088
Log P
3.567159
Molar Refractivity
82.6318
Polarizability
33.93072
Polar Surface Area
21.26
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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