Molecule

ID:63699

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄ClNO₄
Molecular Mass
305.79766
Exact Mass
305.13938593
Charge
0
InChI
InChI=1S/C14H24ClNO4/c1-13(2,3)20-12(18)16-10-6-8-14(16,7-5-9-15)11(17)19-4/h5-10H2,1-4H3
InChIKey
JXSBVGITDYKWEC-UHFFFAOYSA-N
Canonic Smiles
ClCCCC1(CCCN1C(=O)OC(C)(C)C)C(=O)OC
Isomeric Smiles
C1C(C(=O)OC)(CCCCl)N(C(=O)OC(C)(C)C)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.649716
LogD (pH = 7.4)
2.649716
Log P
2.649716
Molar Refractivity
76.6465
Polarizability
30.362455
Polar Surface Area
55.84
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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