Molecule

ID:86175

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO₂
Molecular Mass
206.0261
Exact Mass
204.96973377
Charge
0
InChI
InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,10H2,(H,11,12)
InChIKey
MMIREQFMYZQWLU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1N)C(=O)O)Cl
Isomeric Smiles
O=C(c1c(c(ccc1Cl)Cl)N)O
Calculated Properties
JChem
Acid pKa
3.5371656
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.67172366
LogD (pH = 7.4)
-0.7142288
Log P
2.6599922
Molar Refractivity
47.6242
Polarizability
17.724161
Polar Surface Area
63.32
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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