Molecule

ID:11676

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO₄
Molecular Mass
317.80836
Exact Mass
317.13938593
Charge
0
InChI
InChI=1S/C15H23NO4.ClH/c1-10(2)8-13-12(9-16-4-6-19-7-5-16)14(15(17)18)11(3)20-13;/h10H,4-9H2,1-3H3,(H,17,18);1H
InChIKey
FLMROKNOHPWLID-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1oc(c(c1CN1CCOCC1)C(=O)O)C)C.Cl
Isomeric Smiles
c1(c(c(oc1CC(C)C)C)C(=O)O)CN1CCOCC1.Cl
Calculated Properties
JChem
Acid pKa
3.678289
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.23419525
LogD (pH = 7.4)
-0.8653479
Log P
-0.22967188
Molar Refractivity
77.4178
Polarizability
29.306149
Polar Surface Area
62.91
Rotatable Bonds
5
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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