Molecule

ID:29443

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO
Molecular Mass
297.43448
Exact Mass
297.20926449
Charge
0
InChI
InChI=1S/C20H27NO/c1-3-4-5-6-13-22-20-12-8-11-19(15-20)21-16-18-10-7-9-17(2)14-18/h7-12,14-15,21H,3-6,13,16H2,1-2H3
InChIKey
YKRGEPCSRFKNQE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1cccc(c1)NCc1cccc(c1)C
Isomeric Smiles
N(c1cc(OCCCCCC)ccc1)Cc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.735249
LogD (pH = 7.4)
5.7392325
Log P
5.7392836
Molar Refractivity
95.4444
Polarizability
36.45296
Polar Surface Area
21.26
Rotatable Bonds
9
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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