Molecule
ID:60715
General Information
Molecular Formula
C₈H₅Cl₂NO
Molecular Mass
202.0374
Exact Mass
200.97481915
Charge
0
InChI
InChI=1S/C8H5Cl2NO/c9-8(10)5-3-1-2-4-6(5)11-7(8)12/h1-4H,(H,11,12)
InChIKey
WGGLCBPNOIWKDL-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2c(C1(Cl)Cl)cccc2
Isomeric Smiles
C1(C(=O)Nc2c1cccc2)(Cl)Cl
Calculated Properties
JChem
Acid pKa
11.910934
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7069128
LogD (pH = 7.4)
2.7069001
Log P
2.706913
Molar Refractivity
49.5407
Polarizability
18.224075
Polar Surface Area
29.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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