Molecule

ID:41955

General Information
Structure
MolImage
Molecular Formula
C₉H₉Cl₂NO₂
Molecular Mass
234.07926
Exact Mass
233.00103389
Charge
0
InChI
InChI=1S/C9H9Cl2NO2/c1-12(14-2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,1-2H3
InChIKey
HGNZLPFQRSFKBT-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)c1ccc(c(c1)Cl)Cl)C
Isomeric Smiles
C(=O)(c1cc(c(cc1)Cl)Cl)N(OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6304305
LogD (pH = 7.4)
2.6304305
Log P
2.6304305
Molar Refractivity
55.8896
Polarizability
21.418024
Polar Surface Area
29.54
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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