Molecule

ID:43744

General Information
Structure
MolImage
Molecular Formula
C₈H₇Cl₂NO₂
Molecular Mass
220.05268
Exact Mass
218.98538383
Charge
0
InChI
InChI=1S/C8H7Cl2NO2/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
InChIKey
NHRIRGQUPAYPDT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccc(c(c1)Cl)Cl)N
Isomeric Smiles
c1(C(C(=O)O)N)cc(c(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
1.1583189
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.2655952
LogD (pH = 7.4)
-0.28527623
Log P
-0.26545453
Molar Refractivity
49.9709
Polarizability
19.918362
Polar Surface Area
63.32
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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