Molecule

ID:28890

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₁NO
Molecular Mass
325.48764
Exact Mass
325.24056462
Charge
0
InChI
InChI=1S/C22H31NO/c1-7-16(3)20-10-8-9-11-21(20)24-19(6)14-23-22-17(4)12-15(2)13-18(22)5/h8-13,16,19,23H,7,14H2,1-6H3
InChIKey
IIKAIDKYHFUSSI-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OC(CNc1c(C)cc(cc1C)C)C)C
Isomeric Smiles
c1(NCC(Oc2c(C(CC)C)cccc2)C)c(cc(cc1C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.6956654
LogD (pH = 7.4)
6.735952
Log P
6.7364907
Molar Refractivity
105.1382
Polarizability
39.907555
Polar Surface Area
21.26
Rotatable Bonds
7
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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