Molecule

ID:19481

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃ClFN
Molecular Mass
237.7004232
Exact Mass
237.07205532
Charge
0
InChI
InChI=1S/C13H12FN.ClH/c14-13-7-6-11(8-12(13)9-15)10-4-2-1-3-5-10;/h1-8H,9,15H2;1H
InChIKey
AKPIXMJBSOJSQH-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(ccc1F)c1ccccc1.Cl
Isomeric Smiles
c1(cc(ccc1F)c1ccccc1)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.007039318
LogD (pH = 7.4)
1.328854
Log P
2.8889415
Molar Refractivity
59.884
Polarizability
24.343288
Polar Surface Area
26.02
Rotatable Bonds
2
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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