Molecule

ID:82067

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₈ClNO₄
Molecular Mass
428.00512
Exact Mass
427.24893638
Charge
0
InChI
InChI=1S/C23H38NO4.ClH/c1-4-5-6-7-8-9-10-14-18-27-22(25)20-24(2,3)17-19-28-23(26)21-15-12-11-13-16-21;/h11-13,15-16H,4-10,14,17-20H2,1-3H3;1H/q+1;/p-1
InChIKey
CRLWBTYDCFYQOU-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCOC(=O)C[N+](CCOC(=O)c1ccccc1)(C)C.[Cl-]
Isomeric Smiles
[N+](CCOC(=O)c1ccccc1)(CC(=O)OCCCCCCCCCC)(C)C.[Cl-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4482191
LogD (pH = 7.4)
1.4482191
Log P
1.4482191
Molar Refractivity
124.3493
Polarizability
44.59883
Polar Surface Area
52.6
Rotatable Bonds
17
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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