Molecule

ID:98124

General Information
Structure
Molecular Formula
C₈H₆Cl₂FNO₂
Molecular Mass
238.0431432
Exact Mass
236.97596202
Charge
0
InChI
InChI=1S/C8H6Cl2FNO2/c1-2-14-8(13)4-3-12-7(10)6(11)5(4)9/h3H,2H2,1H3
InChIKey
PJAYGSDXQHYXNZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(c(c1Cl)F)Cl
Isomeric Smiles
n1cc(c(c(c1Cl)F)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6868267
LogD (pH = 7.4)
2.6868267
Log P
2.6868267
Molar Refractivity
51.5623
Polarizability
19.535906
Polar Surface Area
39.19
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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