Molecule

ID:104752

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₈ClNO₅
Molecular Mass
431.99382
Exact Mass
431.243851
Charge
0
InChI
InChI=1S/C22H37NO5.ClH/c1-6-23(7-2)14-12-10-8-9-11-13-15-28-22(24)18-16-19(25-3)21(27-5)20(17-18)26-4;/h16-17H,6-15H2,1-5H3;1H
InChIKey
KFJZVXKPPQIYCG-UHFFFAOYSA-N
Canonic Smiles
CCN(CCCCCCCCOC(=O)c1cc(OC)c(c(c1)OC)OC)CC.Cl
Isomeric Smiles
Cl.CCN(CC)CCCCCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.1102437
LogD (pH = 7.4)
1.7671113
Log P
4.5915666
Molar Refractivity
112.9032
Polarizability
44.087944
Polar Surface Area
57.23
Rotatable Bonds
16
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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