Molecule

ID:15656

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂ClFN₂
Molecular Mass
250.6991832
Exact Mass
250.06730429
Charge
0
InChI
InChI=1S/C13H12ClFN2/c14-12-2-1-3-13(15)11(12)9-17-8-10-4-6-16-7-5-10/h1-7,17H,8-9H2
InChIKey
PJNCICOGJNKYND-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1CNCc1ccncc1)Cl
Isomeric Smiles
c1cc(c(c(c1)F)CNCc1ccncc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7965948
LogD (pH = 7.4)
2.4271178
Log P
2.785142
Molar Refractivity
66.7829
Polarizability
25.755634
Polar Surface Area
24.92
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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