Molecule

ID:7650

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClFNO
Molecular Mass
187.5986832
Exact Mass
187.02001975
Charge
0
InChI
InChI=1S/C8H7ClFNO/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKey
BYVRYIYAFIMINQ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1c(F)ccc(c1Cl)C
Isomeric Smiles
c1cc(c(c(c1F)C(=O)N)Cl)C
Calculated Properties
JChem
Acid pKa
11.742515
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0840542
LogD (pH = 7.4)
2.0840716
Log P
2.084054
Molar Refractivity
45.1988
Polarizability
16.60066
Polar Surface Area
43.09
Rotatable Bonds
1
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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