Molecule

ID:29584

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-14-4-7-17(12-15(14)2)19-13-16-5-8-18(9-6-16)21-11-10-20-3/h4-9,12,19H,10-11,13H2,1-3H3
InChIKey
BYFNCAQBTWVZFN-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)CNc1ccc(c(c1)C)C
Isomeric Smiles
c1(c(ccc(c1)NCc1ccc(cc1)OCCOC)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.9553652
LogD (pH = 7.4)
3.9922025
Log P
3.992693
Molar Refractivity
88.4535
Polarizability
33.337654
Polar Surface Area
30.49
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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