Molecule

ID:122816

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClFNO
Molecular Mass
223.6307832
Exact Mass
223.02001975
Charge
0
InChI
InChI=1S/C11H7ClFNO/c12-10-6-8(3-4-11(10)13)14-5-1-2-9(14)7-15/h1-7H
InChIKey
WNJULMDHYCFWDG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1c1ccc(c(c1)Cl)F
Isomeric Smiles
n1(c2cc(c(cc2)F)Cl)c(ccc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.659
LogD (pH = 7.4)
2.659
Log P
2.659
Molar Refractivity
67.2931
Polarizability
21.779057
Polar Surface Area
22.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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