Molecule

ID:35882

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO₄
Molecular Mass
331.83494
Exact Mass
331.155036
Charge
0
InChI
InChI=1S/C16H25NO4.ClH/c1-5-20-16(18)9-13(17)12-6-7-14(15(8-12)19-4)21-10-11(2)3;/h6-8,11,13H,5,9-10,17H2,1-4H3;1H
InChIKey
PDWMYRVPNSCNEP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(c1ccc(c(c1)OC)OCC(C)C)N.Cl
Isomeric Smiles
C(C(=O)OCC)C(c1cc(c(OCC(C)C)cc1)OC)N.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.52568537
LogD (pH = 7.4)
0.9359849
Log P
2.30544
Molar Refractivity
81.1739
Polarizability
32.38608
Polar Surface Area
70.78
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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