Molecule

ID:17841

General Information
Structure
Molecular Formula
C₁₀H₅Cl₂NO₂
Molecular Mass
242.0582
Exact Mass
240.96973377
Charge
0
InChI
InChI=1S/C10H5Cl2NO2/c11-7-3-1-6(2-4-7)9-5-8(10(12)14)13-15-9/h1-5H
InChIKey
LWLKKTAJTAONRO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1onc(c1)C(=O)Cl
Isomeric Smiles
c1(c2ccc(cc2)Cl)cc(no1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0858252
LogD (pH = 7.4)
3.0858252
Log P
3.0858252
Molar Refractivity
58.0612
Polarizability
22.941519
Polar Surface Area
43.1
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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