Molecule

ID:28685

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₃NO₂
Molecular Mass
321.41282
Exact Mass
321.17287898
Charge
0
InChI
InChI=1S/C21H23NO2/c1-2-23-14-15-24-19-12-10-17(11-13-19)16-22-21-9-5-7-18-6-3-4-8-20(18)21/h3-13,22H,2,14-16H2,1H3
InChIKey
MBVOEONWWIZGSQ-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccc(cc1)CNc1cccc2c1cccc2
Isomeric Smiles
N(c1c2c(ccc1)cccc2)Cc1ccc(cc1)OCCOCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.3083405
LogD (pH = 7.4)
4.312087
Log P
4.312135
Molar Refractivity
99.5699
Polarizability
39.220955
Polar Surface Area
30.49
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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