Molecule

ID:61301

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂NO₂
Molecular Mass
242.0582
Exact Mass
240.96973377
Charge
0
InChI
InChI=1S/C10H5Cl2NO2/c11-7-8(12)10(15)13(9(7)14)6-4-2-1-3-5-6/h1-5H
InChIKey
CZLKFADFZAWWBC-UHFFFAOYSA-N
Canonic Smiles
O=C1C(=C(C(=O)N1c1ccccc1)Cl)Cl
Isomeric Smiles
N1(C(=O)C(=C(C1=O)Cl)Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.023636
LogD (pH = 7.4)
2.0236363
Log P
2.0236363
Molar Refractivity
57.6083
Polarizability
21.790535
Polar Surface Area
37.38
Rotatable Bonds
1
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
References
Bioactivity
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