Molecule

ID:13245

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClFNO
Molecular Mass
239.6732432
Exact Mass
239.05131988
Charge
0
InChI
InChI=1S/C12H11ClFNO/c13-11-4-1-5-12(14)10(11)8-15-7-9-3-2-6-16-9/h1-6,15H,7-8H2
InChIKey
AECKFDYZTSBRNT-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1CNCc1ccco1)Cl
Isomeric Smiles
c1ccc(c(c1F)CNCc1ccco1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8319991
LogD (pH = 7.4)
2.9825873
Log P
3.063061
Molar Refractivity
61.3307
Polarizability
23.551085
Polar Surface Area
25.17
Rotatable Bonds
4
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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