Molecule

ID:29326

General Information
Structure
Molecular Formula
C₂₂H₂₃NO
Molecular Mass
317.42412
Exact Mass
317.17796436
Charge
0
InChI
InChI=1S/C22H23NO/c1-18-7-5-6-10-20(18)15-16-23-21-11-13-22(14-12-21)24-17-19-8-3-2-4-9-19/h2-14,23H,15-17H2,1H3
InChIKey
UBQZXQYPKYJNLP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1CCNc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
c1(c(C)cccc1)CCNc1ccc(OCc2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.0179534
LogD (pH = 7.4)
5.5267878
Log P
5.5393815
Molar Refractivity
101.7364
Polarizability
38.620647
Polar Surface Area
21.26
Rotatable Bonds
7
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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