Molecule

ID:83987

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO₂
Molecular Mass
206.0261
Exact Mass
204.96973377
Charge
0
InChI
InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
InChIKey
KTHTXLUIEAIGCD-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)C(=O)O)N
Isomeric Smiles
O=C(c1cc(cc(c1N)Cl)Cl)O
Calculated Properties
JChem
Acid pKa
4.2981596
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.4291874
LogD (pH = 7.4)
-0.30765572
Log P
2.6599922
Molar Refractivity
47.6242
Polarizability
17.70156
Polar Surface Area
63.32
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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