Molecule

ID:116881

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClNO₄
Molecular Mass
271.69686
Exact Mass
271.06113561
Charge
0
InChI
InChI=1S/C12H14ClNO4/c1-16-10-4-3-8(5-11(10)17-2)14-7-9(6-13)18-12(14)15/h3-5,9H,6-7H2,1-2H3
InChIKey
DZHSXMZHABDQHC-UHFFFAOYSA-N
Canonic Smiles
ClCC1OC(=O)N(C1)c1ccc(c(c1)OC)OC
Isomeric Smiles
C1(=O)N(c2cc(c(cc2)OC)OC)CC(O1)CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9317029
LogD (pH = 7.4)
1.9317029
Log P
1.9317029
Molar Refractivity
65.6314
Polarizability
25.813993
Polar Surface Area
48.0
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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