Molecule

ID:95010

General Information
Structure
Molecular Formula
C₁₀H₄ClFN₂
Molecular Mass
206.6035632
Exact Mass
206.00470404
Charge
0
InChI
InChI=1S/C10H4ClFN2/c11-9-2-1-3-10(12)8(9)4-7(5-13)6-14/h1-4H
InChIKey
BNHYEOYUVVJRCF-UHFFFAOYSA-N
Canonic Smiles
N#CC(=Cc1c(F)cccc1Cl)C#N
Isomeric Smiles
Fc1cccc(c1C=C(C#N)C#N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.919307
LogD (pH = 7.4)
2.919307
Log P
2.919307
Molar Refractivity
52.114
Polarizability
18.817007
Polar Surface Area
47.58
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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