Molecule

ID:29442

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)20-12-8-10-14-22(20)24-18(5)15-23-21-13-9-7-11-19(21)16(2)3/h7-14,16-18,23H,6,15H2,1-5H3
InChIKey
RNQMXCHCUOTDIA-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OC(CNc1ccccc1C(C)C)C)C
Isomeric Smiles
c1(c(C(CC)C)cccc1)OC(CNc1c(C(C)C)cccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.428947
LogD (pH = 7.4)
6.4410787
Log P
6.4412355
Molar Refractivity
104.2054
Polarizability
40.068027
Polar Surface Area
21.26
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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