Molecule

ID:28644

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇Cl₂NO₂
Molecular Mass
292.11688
Exact Mass
290.98538383
Charge
0
InChI
InChI=1S/C14H7Cl2NO2/c15-10-5-6-12-11(7-10)17-14(19-12)9-3-1-8(2-4-9)13(16)18/h1-7H
InChIKey
XCHUDJBUCBIPSC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)nc(o2)c1ccc(cc1)C(=O)Cl
Isomeric Smiles
n1c(oc2c1cc(cc2)Cl)c1ccc(C(=O)Cl)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.139592
LogD (pH = 7.4)
4.1395926
Log P
4.1395926
Molar Refractivity
83.7442
Polarizability
29.716175
Polar Surface Area
43.1
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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