Molecule

ID:29427

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO₂
Molecular Mass
327.46046
Exact Mass
327.21982917
Charge
0
InChI
InChI=1S/C21H29NO2/c1-16(2)14-23-20-9-5-7-18(11-20)13-22-19-8-6-10-21(12-19)24-15-17(3)4/h5-12,16-17,22H,13-15H2,1-4H3
InChIKey
KFPNHCYFUJMCNW-UHFFFAOYSA-N
Canonic Smiles
CC(COc1cccc(c1)NCc1cccc(c1)OCC(C)C)C
Isomeric Smiles
N(c1cc(OCC(C)C)ccc1)Cc1cc(OCC(C)C)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.3397584
LogD (pH = 7.4)
5.3437104
Log P
5.343761
Molar Refractivity
101.2792
Polarizability
39.016857
Polar Surface Area
30.49
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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