Molecule

ID:83925

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂NO₄
Molecular Mass
314.12086
Exact Mass
312.99086313
Charge
0
InChI
InChI=1S/C13H9Cl2NO4/c1-2-20-13(19)7-3-5-8(6-4-7)16-11(17)9(14)10(15)12(16)18/h3-6H,2H2,1H3
InChIKey
WIZHDGPMTBABNL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)N1C(=O)C(=C(C1=O)Cl)Cl
Isomeric Smiles
N1(c2ccc(cc2)C(=O)OCC)C(=O)C(=C(C1=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3839211
LogD (pH = 7.4)
2.3839211
Log P
2.3839211
Molar Refractivity
74.3822
Polarizability
28.125938
Polar Surface Area
63.68
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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