Molecule

ID:29329

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO
Molecular Mass
297.43448
Exact Mass
297.20926449
Charge
0
InChI
InChI=1S/C20H27NO/c1-17(2)14-16-22-20-12-10-19(11-13-20)21-15-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21H,6,9,14-16H2,1-2H3
InChIKey
CMRBJMLKYUXITJ-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1ccc(cc1)NCCCc1ccccc1)C
Isomeric Smiles
c1(NCCCc2ccccc2)ccc(cc1)OCCC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.6444592
LogD (pH = 7.4)
5.3345633
Log P
5.3569736
Molar Refractivity
95.1058
Polarizability
36.455933
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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