Molecule

ID:29486

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₃
Molecular Mass
301.38012
Exact Mass
301.1677936
Charge
0
InChI
InChI=1S/C18H23NO3/c1-4-21-18-7-5-6-15(12-18)19-13-14(2)22-17-10-8-16(20-3)9-11-17/h5-12,14,19H,4,13H2,1-3H3
InChIKey
AJYKVTZFCSHJJR-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)NCC(Oc1ccc(cc1)OC)C
Isomeric Smiles
N(c1cc(OCC)ccc1)CC(Oc1ccc(cc1)OC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.5408232
LogD (pH = 7.4)
3.5480216
Log P
3.548114
Molar Refractivity
88.8978
Polarizability
34.141956
Polar Surface Area
39.72
Rotatable Bonds
8
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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