Molecule

ID:85579

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO
Molecular Mass
190.0267
Exact Mass
188.97481915
Charge
0
InChI
InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
InChIKey
JHSPCUHPSIUQRB-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1c(Cl)cccc1Cl
Isomeric Smiles
O=C(c1c(cccc1Cl)Cl)N
Calculated Properties
JChem
Acid pKa
12.078266
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0319755
LogD (pH = 7.4)
2.0319836
Log P
2.0319755
Molar Refractivity
44.746
Polarizability
17.028894
Polar Surface Area
43.09
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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