Molecule

ID:28930

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO
Molecular Mass
311.46106
Exact Mass
311.22491455
Charge
0
InChI
InChI=1S/C21H29NO/c1-6-21(4,5)18-7-9-20(10-8-18)23-12-11-22-19-14-16(2)13-17(3)15-19/h7-10,13-15,22H,6,11-12H2,1-5H3
InChIKey
RHIDKYNDROHDMM-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OCCNc1cc(C)cc(c1)C)(C)C
Isomeric Smiles
C(c1ccc(cc1)OCCNc1cc(cc(c1)C)C)(CC)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.0750895
LogD (pH = 7.4)
6.1061306
Log P
6.106541
Molar Refractivity
100.1533
Polarizability
38.139988
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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