Molecule

ID:28229

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₂FNO
Molecular Mass
236.0703232
Exact Mass
234.99669746
Charge
0
InChI
InChI=1S/C9H8Cl2FNO/c10-4-3-9(14)13-8-2-1-6(11)5-7(8)12/h1-2,5H,3-4H2,(H,13,14)
InChIKey
FIXJACKSCVRNAK-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)Nc1ccc(cc1F)Cl
Isomeric Smiles
N(c1c(cc(cc1)Cl)F)C(=O)CCCl
Calculated Properties
JChem
Acid pKa
11.931265
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7320592
LogD (pH = 7.4)
2.732047
Log P
2.7320592
Molar Refractivity
55.3948
Polarizability
20.572645
Polar Surface Area
29.1
Rotatable Bonds
3
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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