Molecule

ID:115055

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClFN₃
Molecular Mass
275.7086432
Exact Mass
275.06255327
Charge
0
InChI
InChI=1S/C14H11ClFN3/c1-8-7-12(15)19-14(17-8)13(9(2)18-19)10-5-3-4-6-11(10)16/h3-7H,1-2H3
InChIKey
QPTAFXWCKZNFKD-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)n2c(n1)c(c(n2)C)c1ccccc1F
Isomeric Smiles
c12n(nc(c1c1c(F)cccc1)C)c(cc(n2)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0245953
LogD (pH = 7.4)
3.0246944
Log P
3.0246956
Molar Refractivity
83.1151
Polarizability
28.436502
Polar Surface Area
30.19
Rotatable Bonds
0
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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