Molecule

ID:135961

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₁NO
Molecular Mass
325.48764
Exact Mass
325.24056462
Charge
0
InChI
InChI=1S/C22H31NO/c1-17(2)21(20-15-11-8-12-16-20)23(22(4,5)6)24-18(3)19-13-9-7-10-14-19/h7-18,21H,1-6H3
InChIKey
FPFRTDOMIFBPBZ-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)ON(C(C)(C)C)C(c1ccccc1)C(C)C
Isomeric Smiles
CC(C)C(c1ccccc1)N(C(C)(C)C)OC(C)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.0191326
LogD (pH = 7.4)
6.0266886
Log P
6.026786
Molar Refractivity
101.8043
Polarizability
40.642895
Polar Surface Area
12.47
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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