Molecule

ID:113472

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClFNO
Molecular Mass
265.7105232
Exact Mass
265.06696994
Charge
0
InChI
InChI=1S/C14H13ClFNO/c1-9-6-13(14(18)8-15)10(2)17(9)12-5-3-4-11(16)7-12/h3-7H,8H2,1-2H3
InChIKey
UMSNWZWJTFGFSJ-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1cc(n(c1C)c1cccc(c1)F)C
Isomeric Smiles
n1(c(c(cc1C)C(=O)CCl)C)c1cc(F)ccc1
Calculated Properties
JChem
Acid pKa
15.319738
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6299
LogD (pH = 7.4)
2.6299
Log P
2.6299
Molar Refractivity
81.4822
Polarizability
27.059029
Polar Surface Area
22.0
Rotatable Bonds
3
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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