Molecule

ID:60069

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClN₂O₃
Molecular Mass
296.74938
Exact Mass
296.09277009
Charge
0
InChI
InChI=1S/C14H17ClN2O3/c15-11-2-1-3-12(10-11)16-6-8-17(9-7-16)13(18)4-5-14(19)20/h1-3,10H,4-9H2,(H,19,20)
InChIKey
WXRVQNROAZAVKO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)N1CCN(CC1)c1cccc(c1)Cl
Isomeric Smiles
N1(C(=O)CCC(=O)O)CCN(c2cc(Cl)ccc2)CC1
Calculated Properties
JChem
Acid pKa
4.2219877
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.28256604
LogD (pH = 7.4)
-1.4367665
Log P
1.584211
Molar Refractivity
76.506
Polarizability
29.13001
Polar Surface Area
60.85
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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