Molecule

ID:57167

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClFO
Molecular Mass
184.5947432
Exact Mass
184.00912071
Charge
0
InChI
InChI=1S/C9H6ClFO/c10-9(12)6-5-7-3-1-2-4-8(7)11/h1-6H/b6-5+
InChIKey
JTDODVLEWOIHOB-AATRIKPKSA-N
Canonic Smiles
ClC(=O)/C=C/c1ccccc1F
Isomeric Smiles
c1(ccccc1/C=C/C(=O)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8121178
LogD (pH = 7.4)
2.8121178
Log P
2.8121178
Molar Refractivity
47.1348
Polarizability
17.317371
Polar Surface Area
17.07
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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