Molecule

ID:101741

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂NO
Molecular Mass
226.0588
Exact Mass
224.97481915
Charge
0
InChI
InChI=1S/C10H5Cl2NO/c11-9-7(10(12)14)5-6-3-1-2-4-8(6)13-9/h1-5H
InChIKey
QZUMFCDPDBLWBV-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc2ccccc2nc1Cl
Isomeric Smiles
c1(c(nc2c(c1)cccc2)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1460347
LogD (pH = 7.4)
3.146035
Log P
3.146035
Molar Refractivity
56.9601
Polarizability
22.639223
Polar Surface Area
29.96
Rotatable Bonds
1
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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