Molecule

ID:98564

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClFN₂
Molecular Mass
188.6298032
Exact Mass
188.05165423
Charge
0
InChI
InChI=1S/C8H9FN2.ClH/c9-7-3-1-6(2-4-7)5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKey
JFOGGGJTYUPBED-UHFFFAOYSA-N
Canonic Smiles
NC(=N)Cc1ccc(cc1)F.Cl
Isomeric Smiles
N=C(Cc1ccc(cc1)F)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.3988588
LogD (pH = 7.4)
-1.3974185
Log P
1.0165817
Molar Refractivity
51.9983
Polarizability
15.533991
Polar Surface Area
49.87
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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