Molecule

ID:29316

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-3-14-20-18-10-8-17(9-11-18)19-13-12-16-7-5-4-6-15(16)2/h4-11,19H,3,12-14H2,1-2H3
InChIKey
UMNANFNVLATJBJ-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)NCCc1ccccc1C
Isomeric Smiles
c1(c(C)cccc1)CCNc1ccc(cc1)OCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1590767
LogD (pH = 7.4)
4.681071
Log P
4.6942387
Molar Refractivity
86.3964
Polarizability
32.68103
Polar Surface Area
21.26
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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