Molecule

ID:11675

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO₃
Molecular Mass
301.80896
Exact Mass
301.14447131
Charge
0
InChI
InChI=1S/C15H23NO3.ClH/c1-10-12(14(17)18)11(9-16-7-5-6-8-16)13(19-10)15(2,3)4;/h5-9H2,1-4H3,(H,17,18);1H
InChIKey
UENSHERLWNPHSO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(C)oc(c1CN1CCCC1)C(C)(C)C.Cl
Isomeric Smiles
c1(c(c(oc1C(C)(C)C)C)C(=O)O)CN1CCCC1.Cl
Calculated Properties
JChem
Acid pKa
3.6759725
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.04856565
LogD (pH = 7.4)
0.047822777
Log P
0.052056603
Molar Refractivity
75.6044
Polarizability
28.58796
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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