Molecule

ID:8344

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClFO
Molecular Mass
172.5840432
Exact Mass
172.00912071
Charge
0
InChI
InChI=1S/C8H6ClFO/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey
SIOJFYRPBYGHOO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)Cc1ccc(cc1)F
Isomeric Smiles
c1c(ccc(c1)CC(=O)Cl)F
Calculated Properties
JChem
Acid pKa
14.975607
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2870257
LogD (pH = 7.4)
2.2870257
Log P
2.2870257
Molar Refractivity
41.4405
Polarizability
15.674861
Polar Surface Area
17.07
Rotatable Bonds
2
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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