Molecule

ID:115256

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClFNO
Molecular Mass
211.6200832
Exact Mass
211.02001975
Charge
0
InChI
InChI=1S/C10H7ClFNO/c11-6-7-5-10(14-13-7)8-3-1-2-4-9(8)12/h1-5H,6H2
InChIKey
HMNSMZAKTCXHNT-UHFFFAOYSA-N
Canonic Smiles
ClCc1noc(c1)c1ccccc1F
Isomeric Smiles
c1(cc(no1)CCl)c1c(F)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7164333
LogD (pH = 7.4)
2.7164335
Log P
2.7164335
Molar Refractivity
52.0748
Polarizability
20.607555
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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