Molecule

ID:93914

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClFN
Molecular Mass
223.6738432
Exact Mass
223.05640526
Charge
0
InChI
InChI=1S/C12H10FN.ClH/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;/h1-8H,14H2;1H
InChIKey
LNUWHWWGZKEETJ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1cccc(c1)F.Cl
Isomeric Smiles
Fc1cc(ccc1)c1cc(ccc1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9206545
LogD (pH = 7.4)
2.9340734
Log P
2.9342473
Molar Refractivity
56.111
Polarizability
22.097689
Polar Surface Area
26.02
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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