Molecule

ID:29286

General Information
Structure
Molecular Formula
C₂₂H₃₁NO₂
Molecular Mass
341.48704
Exact Mass
341.23547924
Charge
0
InChI
InChI=1S/C22H31NO2/c1-4-5-15-24-22-12-8-20(9-13-22)23-17-19-6-10-21(11-7-19)25-16-14-18(2)3/h6-13,18,23H,4-5,14-17H2,1-3H3
InChIKey
MEMGNVHPVPBTAQ-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)NCc1ccc(cc1)OCCC(C)C
Isomeric Smiles
N(c1ccc(cc1)OCCCC)Cc1ccc(cc1)OCCC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.6835504
LogD (pH = 7.4)
5.788455
Log P
5.789972
Molar Refractivity
106.0866
Polarizability
40.861515
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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