Molecule

ID:100009

General Information
Structure
MolImage
Molecular Formula
C₇H₈Cl₂FN
Molecular Mass
196.0495232
Exact Mass
195.00178284
Charge
0
InChI
InChI=1S/C7H7ClFN.ClH/c8-6-2-1-5(4-10)3-7(6)9;/h1-3H,4,10H2;1H
InChIKey
SZEIBCAEFIKNJV-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(c(c1)F)Cl.Cl
Isomeric Smiles
NCc1cc(c(cc1)Cl)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1169655
LogD (pH = 7.4)
-0.017095048
Log P
1.8457608
Molar Refractivity
39.5526
Polarizability
15.2721615
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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