Molecule

ID:28889

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO
Molecular Mass
311.46106
Exact Mass
311.22491455
Charge
0
InChI
InChI=1S/C21H29NO/c1-15-13-16(2)20(17(3)14-15)22-11-12-23-19-10-8-7-9-18(19)21(4,5)6/h7-10,13-14,22H,11-12H2,1-6H3
InChIKey
CGJCICLKRUHSQZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)NCCOc1ccccc1C(C)(C)C
Isomeric Smiles
c1(c(cc(cc1C)C)C)NCCOc1c(C(C)(C)C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.13637
LogD (pH = 7.4)
6.17488
Log P
6.175394
Molar Refractivity
100.5935
Polarizability
38.060436
Polar Surface Area
21.26
Rotatable Bonds
6
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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