Molecule

ID:56609

General Information
Structure
MolImage
Molecular Formula
C₁₇H₉Cl₂NO₃
Molecular Mass
346.16426
Exact Mass
344.99594851
Charge
0
InChI
InChI=1S/C17H9Cl2NO3/c18-12-3-1-2-10-11(17(19)21)7-13(20-16(10)12)9-4-5-14-15(6-9)23-8-22-14/h1-7H,8H2
InChIKey
BAEVGRIXBDGKMH-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1cccc2Cl)c1ccc2c(c1)OCO2
Isomeric Smiles
n1c2c(c(cc1c1cc3c(OCO3)cc1)C(=O)Cl)cccc2Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.582166
LogD (pH = 7.4)
4.5821667
Log P
4.5821667
Molar Refractivity
86.4299
Polarizability
35.98722
Polar Surface Area
48.42
Rotatable Bonds
2
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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