Molecule

ID:28734

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO₂
Molecular Mass
327.46046
Exact Mass
327.21982917
Charge
0
InChI
InChI=1S/C21H29NO2/c1-4-6-15-23-20-11-7-18(8-12-20)16-22-19-9-13-21(14-10-19)24-17(3)5-2/h7-14,17,22H,4-6,15-16H2,1-3H3
InChIKey
SPLACWBQIXKYIN-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)CNc1ccc(cc1)OC(CC)C
Isomeric Smiles
N(c1ccc(OC(CC)C)cc1)Cc1ccc(cc1)OCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.3711553
LogD (pH = 7.4)
5.473484
Log P
5.474959
Molar Refractivity
101.3558
Polarizability
39.015476
Polar Surface Area
30.49
Rotatable Bonds
10
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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