Molecule

ID:28952

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₁NO
Molecular Mass
325.48764
Exact Mass
325.24056462
Charge
0
InChI
InChI=1S/C22H31NO/c1-6-17(4)20-10-8-9-11-22(20)24-19(7-2)15-23-21-14-16(3)12-13-18(21)5/h8-14,17,19,23H,6-7,15H2,1-5H3
InChIKey
UTGBKWJKNSYDLK-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccccc1C(CC)C)CNc1cc(C)ccc1C
Isomeric Smiles
c1(c(C(CC)C)cccc1)OC(CNc1c(ccc(c1)C)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.7226825
LogD (pH = 7.4)
6.7452955
Log P
6.7455916
Molar Refractivity
104.621
Polarizability
39.98863
Polar Surface Area
21.26
Rotatable Bonds
8
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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