Molecule

ID:11680

General Information
Structure
Molecular Formula
C₁₅H₂₆ClNO₃
Molecular Mass
303.82484
Exact Mass
303.16012138
Charge
0
InChI
InChI=1S/C15H25NO3.ClH/c1-6-16(7-2)9-12-13(8-10(3)4)19-11(5)14(12)15(17)18;/h10H,6-9H2,1-5H3,(H,17,18);1H
InChIKey
NMOFOAQTWGWAOY-UHFFFAOYSA-N
Canonic Smiles
CCN(Cc1c(CC(C)C)oc(c1C(=O)O)C)CC.Cl
Isomeric Smiles
c1(c(c(oc1CC(C)C)C)C(=O)O)CN(CC)CC.Cl
Calculated Properties
JChem
Acid pKa
3.7287965
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.34594777
LogD (pH = 7.4)
0.34078014
Log P
0.34976462
Molar Refractivity
77.8405
Polarizability
29.312014
Polar Surface Area
53.68
Rotatable Bonds
7
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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