Molecule

ID:28943

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-13-5-6-14(2)18(11-13)19-12-15(3)21-17-9-7-16(20-4)8-10-17/h5-11,15,19H,12H2,1-4H3
InChIKey
HDAZEZOTEIRNEK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OC(CNc1cc(C)ccc1C)C
Isomeric Smiles
c1(NCC(Oc2ccc(cc2)OC)C)c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.3544517
LogD (pH = 7.4)
4.3755445
Log P
4.37582
Molar Refractivity
87.7684
Polarizability
33.325386
Polar Surface Area
30.49
Rotatable Bonds
6
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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