Molecule

ID:9099

General Information
Structure
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Molecular Formula
C₇H₃ClF₂O
Molecular Mass
176.5479264
Exact Mass
175.98404884
Charge
0
InChI
InChI=1S/C7H3ClF2O/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3H
InChIKey
QRHUZEVERIHEPT-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1c(F)cccc1F
Isomeric Smiles
Fc1c(c(F)ccc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4495623
LogD (pH = 7.4)
2.4495623
Log P
2.4495623
Molar Refractivity
37.6055
Polarizability
13.688438
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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