Molecule

ID:96047

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂F₂NO
Molecular Mass
240.0342064
Exact Mass
238.97162559
Charge
0
InChI
InChI=1S/C8H5Cl2F2NO/c9-5-1-3-6(4-2-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
InChIKey
ZTJWLHPPHIMQNM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)NC(=O)C(Cl)(F)F
Isomeric Smiles
N(c1ccc(cc1)Cl)C(=O)C(Cl)(F)F
Calculated Properties
JChem
Acid pKa
11.163953
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1540153
LogD (pH = 7.4)
3.153945
Log P
3.154016
Molar Refractivity
51.5708
Polarizability
18.703114
Polar Surface Area
29.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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