Molecule

ID:72100

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClNO₃
Molecular Mass
283.75062
Exact Mass
283.09752112
Charge
0
InChI
InChI=1S/C14H18ClNO3/c1-3-4-9-19-14(18)11-5-7-12(8-6-11)16-13(17)10(2)15/h5-8,10H,3-4,9H2,1-2H3,(H,16,17)
InChIKey
FKGHEJWJKHGUKQ-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)c1ccc(cc1)NC(=O)C(Cl)C
Isomeric Smiles
C(=O)(Nc1ccc(C(=O)OCCCC)cc1)C(Cl)C
Calculated Properties
JChem
Acid pKa
12.686609
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6444402
LogD (pH = 7.4)
3.644438
Log P
3.6444402
Molar Refractivity
76.067
Polarizability
28.847372
Polar Surface Area
55.4
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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