Molecule

ID:29433

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO
Molecular Mass
311.46106
Exact Mass
311.22491455
Charge
0
InChI
InChI=1S/C21H29NO/c1-15(2)18-8-6-7-9-20(18)22-12-13-23-21-14-17(5)10-11-19(21)16(3)4/h6-11,14-16,22H,12-13H2,1-5H3
InChIKey
BWXSXLIPAUPECL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)OCCNc1ccccc1C(C)C)C(C)C
Isomeric Smiles
c1(c(ccc(c1)C)C(C)C)OCCNc1c(C(C)C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.0817814
LogD (pH = 7.4)
6.093364
Log P
6.093513
Molar Refractivity
100.2268
Polarizability
38.140804
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
No Data Available
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Molecule Details
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References
Bioactivity
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