Molecule

ID:29206

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO
Molecular Mass
297.43448
Exact Mass
297.20926449
Charge
0
InChI
InChI=1S/C20H27NO/c1-5-17-8-6-7-16(4)20(17)21-13-14-22-19-11-9-18(10-12-19)15(2)3/h6-12,15,21H,5,13-14H2,1-4H3
InChIKey
CYXTWPUQVDZHOG-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1NCCOc1ccc(cc1)C(C)C)C
Isomeric Smiles
c1(c(cccc1CC)C)NCCOc1ccc(cc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.7941117
LogD (pH = 7.4)
5.806336
Log P
5.806494
Molar Refractivity
95.6782
Polarizability
36.29362
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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