Molecule

ID:29483

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO₂
Molecular Mass
313.43388
Exact Mass
313.20417911
Charge
0
InChI
InChI=1S/C20H27NO2/c1-5-22-18-8-6-7-17(14-18)21-11-12-23-20-13-16(4)9-10-19(20)15(2)3/h6-10,13-15,21H,5,11-12H2,1-4H3
InChIKey
LSBMQPGKCAFVCP-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)NCCOc1cc(C)ccc1C(C)C
Isomeric Smiles
c1(c(ccc(c1)C)C(C)C)OCCNc1cc(OCC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.0406814
LogD (pH = 7.4)
5.0475526
Log P
5.047641
Molar Refractivity
97.2478
Polarizability
37.01643
Polar Surface Area
30.49
Rotatable Bonds
8
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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