Molecule

ID:11679

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO₃
Molecular Mass
301.80896
Exact Mass
301.14447131
Charge
0
InChI
InChI=1S/C15H23NO3.ClH/c1-15(2,3)13-9-11(14(17)18)12(19-13)10-16-7-5-4-6-8-16;/h9H,4-8,10H2,1-3H3,(H,17,18);1H
InChIKey
HJRRHYKSRYIONO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(oc1CN1CCCCC1)C(C)(C)C.Cl
Isomeric Smiles
c1c(c(oc1C(C)(C)C)CN1CCCCC1)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.773753
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.2232086
LogD (pH = 7.4)
0.20332214
Log P
0.22704013
Molar Refractivity
74.9332
Polarizability
28.662535
Polar Surface Area
53.68
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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