Molecule

ID:104957

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂ClNO₂
Molecular Mass
353.92658
Exact Mass
353.21215695
Charge
0
InChI
InChI=1S/C20H31NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3;1H
InChIKey
WIELVDXKOYPANK-UHFFFAOYSA-N
Canonic Smiles
CCN(CCOC(=O)C(c1ccccc1)C1CCCCC1)CC.Cl
Isomeric Smiles
Cl.CCN(CC)CCOC(=O)C(C1CCCCC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4533058
LogD (pH = 7.4)
3.064872
Log P
4.6337028
Molar Refractivity
95.3759
Polarizability
37.689056
Polar Surface Area
29.54
Rotatable Bonds
9
Lipinski's Rule of Five
true
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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