Molecule

ID:115057

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClFN₃
Molecular Mass
275.7086432
Exact Mass
275.06255327
Charge
0
InChI
InChI=1S/C14H11ClFN3/c1-8-6-12(15)19-14(17-8)13(9(2)18-19)10-4-3-5-11(16)7-10/h3-7H,1-2H3
InChIKey
AUAJOJOQMVZTIU-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)c1c(C)nn2c1nc(C)cc2Cl
Isomeric Smiles
n12c(c(c(n1)C)c1cc(F)ccc1)nc(cc2Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.024589
LogD (pH = 7.4)
3.0246942
Log P
3.0246956
Molar Refractivity
83.1151
Polarizability
28.430326
Polar Surface Area
30.19
Rotatable Bonds
1
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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