Molecule

ID:28935

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO
Molecular Mass
297.43448
Exact Mass
297.20926449
Charge
0
InChI
InChI=1S/C20H27NO/c1-5-16(3)18-8-6-7-9-20(18)22-13-12-21-19-14-15(2)10-11-17(19)4/h6-11,14,16,21H,5,12-13H2,1-4H3
InChIKey
FHQLGKQLTSZKSZ-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OCCNc1cc(C)ccc1C)C
Isomeric Smiles
c1(c(ccc(c1)C)C)NCCOc1c(C(CC)C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.7860847
LogD (pH = 7.4)
5.806231
Log P
5.806494
Molar Refractivity
95.6782
Polarizability
36.295483
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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