Molecule

ID:82077

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₉NO₂
Molecular Mass
339.47116
Exact Mass
339.21982917
Charge
0
InChI
InChI=1S/C22H29NO2/c1-16(2)19-12-11-17(3)14-20(19)23(15-18-8-5-4-6-9-18)22(24)21-10-7-13-25-21/h4-10,13,16-17,19-20H,11-12,14-15H2,1-3H3
InChIKey
HNNCIRYDHPLEAA-UHFFFAOYSA-N
Canonic Smiles
CC1CCC(C(C1)N(C(=O)c1ccco1)Cc1ccccc1)C(C)C
Isomeric Smiles
N(C1C(CCC(C1)C)C(C)C)(C(=O)c1ccco1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.238808
LogD (pH = 7.4)
5.238808
Log P
5.238808
Molar Refractivity
101.1173
Polarizability
39.158417
Polar Surface Area
33.45
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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