Molecule

ID:20549

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-5-18(3,4)14-6-8-15(9-7-14)20-16-10-11-17(19)13(2)12-16/h6-12H,5,19H2,1-4H3
InChIKey
UXMWVQBFUUXJKI-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)Oc1ccc(c(c1)C)N)(C)C
Isomeric Smiles
c1(c(ccc(c1)Oc1ccc(C(CC)(C)C)cc1)N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.126869
LogD (pH = 7.4)
5.147385
Log P
5.1476536
Molar Refractivity
85.3073
Polarizability
32.73771
Polar Surface Area
35.25
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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