Molecule

ID:95078

General Information
Structure
Molecular Formula
C₁₁H₆ClFO
Molecular Mass
208.6161432
Exact Mass
208.00912071
Charge
0
InChI
InChI=1S/C11H6ClFO/c12-11(14)9-5-1-4-8-7(9)3-2-6-10(8)13/h1-6H
InChIKey
CESIOMSCHMEAMZ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc2c1cccc2F
Isomeric Smiles
Fc1c2cccc(c2ccc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2963371
LogD (pH = 7.4)
3.2963371
Log P
3.2963371
Molar Refractivity
53.8393
Polarizability
21.232414
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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