Molecule

ID:9100

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₂O
Molecular Mass
176.5479264
Exact Mass
175.98404884
Charge
0
InChI
InChI=1S/C7H3ClF2O/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3H
InChIKey
RLRUKKDFNWXXRT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)Cl)F
Isomeric Smiles
c1(ccc(c(c1)C(=O)Cl)F)F
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
13.6868515
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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