Molecule

ID:19042

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO₄
Molecular Mass
303.78178
Exact Mass
303.12373587
Charge
0
InChI
InChI=1S/C14H21NO4.ClH/c1-14(2,3)12-10(8-11(19-12)13(16)17)9-15-4-6-18-7-5-15;/h8H,4-7,9H2,1-3H3,(H,16,17);1H
InChIKey
WEPJVPMXZNYWAG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(c(o1)C(C)(C)C)CN1CCOCC1.Cl
Isomeric Smiles
c1(cc(oc1C(C)(C)C)C(=O)O)CN1CCOCC1.Cl
Calculated Properties
JChem
Acid pKa
2.7373
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.7986976
LogD (pH = 7.4)
-1.3955135
Log P
-0.7776628
Molar Refractivity
71.8657
Polarizability
27.547945
Polar Surface Area
62.91
Rotatable Bonds
4
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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