Molecule

ID:45512

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClFN₂O
Molecular Mass
264.6827032
Exact Mass
264.04656885
Charge
0
InChI
InChI=1S/C13H10ClFN2O/c14-11-7-10(16)5-6-12(11)17-13(18)8-1-3-9(15)4-2-8/h1-7H,16H2,(H,17,18)
InChIKey
NVWZAQLZYJBONS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)Nc1ccc(cc1Cl)N
Isomeric Smiles
C(=O)(Nc1c(cc(N)cc1)Cl)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
11.462745
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.9809506
LogD (pH = 7.4)
2.9828904
Log P
2.9829512
Molar Refractivity
71.3131
Polarizability
25.654976
Polar Surface Area
55.12
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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