Molecule

ID:29107

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO
Molecular Mass
297.43448
Exact Mass
297.20926449
Charge
0
InChI
InChI=1S/C20H27NO/c1-15(2)11-12-22-19-9-6-8-18(13-19)14-21-20-10-5-7-16(3)17(20)4/h5-10,13,15,21H,11-12,14H2,1-4H3
InChIKey
IRBUPSCACVSWSB-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1cccc(c1)CNc1cccc(c1C)C)C
Isomeric Smiles
c1(c(NCc2cc(OCCC(C)C)ccc2)cccc1C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.6382723
LogD (pH = 7.4)
5.6504292
Log P
5.6505866
Molar Refractivity
95.8322
Polarizability
36.371956
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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