Molecule

ID:98499

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClFNO₂
Molecular Mass
189.5715032
Exact Mass
188.99928431
Charge
0
InChI
InChI=1S/C7H5ClFNO2/c1-12-7(11)4-2-5(9)6(8)10-3-4/h2-3H,1H3
InChIKey
KDMTVIVGDHCOAH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(c(c1)F)Cl
Isomeric Smiles
Fc1c(ncc(c1)C(=O)OC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7259741
LogD (pH = 7.4)
1.7259742
Log P
1.7259742
Molar Refractivity
42.0089
Polarizability
15.70129
Polar Surface Area
39.19
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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