Molecule

ID:11677

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO₃
Molecular Mass
301.80896
Exact Mass
301.14447131
Charge
0
InChI
InChI=1S/C15H23NO3.ClH/c1-10(2)8-13-12(9-16-6-4-5-7-16)14(15(17)18)11(3)19-13;/h10H,4-9H2,1-3H3,(H,17,18);1H
InChIKey
ZUPDPZNSHYTEKU-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1oc(c(c1CN1CCCC1)C(=O)O)C)C.Cl
Isomeric Smiles
c1(c(c(oc1CC(C)C)C)C(=O)O)CN1CCCC1.Cl
Calculated Properties
JChem
Acid pKa
3.6744156
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.03838492
LogD (pH = 7.4)
0.03392458
Log P
0.041760497
Molar Refractivity
75.8843
Polarizability
28.588894
Polar Surface Area
53.68
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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