Molecule

ID:115254

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClF₂NO
Molecular Mass
229.6105464
Exact Mass
229.01059794
Charge
0
InChI
InChI=1S/C10H6ClF2NO/c11-5-7-4-10(15-14-7)8-2-1-6(12)3-9(8)13/h1-4H,5H2
InChIKey
NAVZGANGOKHRRC-UHFFFAOYSA-N
Canonic Smiles
ClCc1noc(c1)c1ccc(cc1F)F
Isomeric Smiles
c1(c2c(cc(cc2)F)F)cc(no1)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8591354
LogD (pH = 7.4)
2.8591356
Log P
2.8591356
Molar Refractivity
52.2912
Polarizability
20.368227
Polar Surface Area
26.03
Rotatable Bonds
2
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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