Molecule

ID:62565

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClFNO
Molecular Mass
211.6200832
Exact Mass
211.02001975
Charge
0
InChI
InChI=1S/C10H7ClFNO/c11-4-10(14)8-5-13-9-2-1-6(12)3-7(8)9/h1-3,5,13H,4H2
InChIKey
HXIFGVNMNJLYBW-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1c[nH]c2c1cc(F)cc2
Isomeric Smiles
c1(c2c([nH]c1)ccc(c2)F)C(=O)CCl
Calculated Properties
JChem
Acid pKa
13.207914
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.309701
LogD (pH = 7.4)
2.3097005
Log P
2.309701
Molar Refractivity
52.5169
Polarizability
20.764423
Polar Surface Area
32.86
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
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Molecule Details
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References
Bioactivity
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