Molecule

ID:29335

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO₂
Molecular Mass
327.46046
Exact Mass
327.21982917
Charge
0
InChI
InChI=1S/C21H29NO2/c1-4-19(24-21-8-6-5-7-9-21)16-22-18-10-12-20(13-11-18)23-15-14-17(2)3/h5-13,17,19,22H,4,14-16H2,1-3H3
InChIKey
UAHDFFJEJNMFNL-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccccc1)CNc1ccc(cc1)OCCC(C)C
Isomeric Smiles
N(c1ccc(cc1)OCCC(C)C)CC(Oc1ccccc1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.2951317
LogD (pH = 7.4)
5.4794755
Log P
5.4824176
Molar Refractivity
100.6322
Polarizability
39.020588
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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