Molecule

ID:29448

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO₂
Molecular Mass
327.46046
Exact Mass
327.21982917
Charge
0
InChI
InChI=1S/C21H29NO2/c1-3-5-6-7-14-24-21-13-9-11-19(16-21)22-17-18-10-8-12-20(15-18)23-4-2/h8-13,15-16,22H,3-7,14,17H2,1-2H3
InChIKey
UBGDNTFAWPAJRP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1cccc(c1)NCc1cccc(c1)OCC
Isomeric Smiles
N(c1cc(OCCCCCC)ccc1)Cc1cc(OCC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.420993
LogD (pH = 7.4)
5.424948
Log P
5.4249988
Molar Refractivity
101.615
Polarizability
39.016895
Polar Surface Area
30.49
Rotatable Bonds
11
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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