Molecule

ID:40414

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl₂NO₃
Molecular Mass
312.14804
Exact Mass
311.01159858
Charge
0
InChI
InChI=1S/C14H11Cl2NO3/c1-17-7-8(5-12(17)14(19)20-2)13(18)10-4-3-9(15)6-11(10)16/h3-7H,1-2H3
InChIKey
PZPQCFSHNZLEMW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(cn1C)C(=O)c1ccc(cc1Cl)Cl
Isomeric Smiles
c1(cc(n(c1)C)C(=O)OC)C(=O)c1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8677266
LogD (pH = 7.4)
3.8677266
Log P
3.8677266
Molar Refractivity
77.8014
Polarizability
29.713129
Polar Surface Area
48.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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