Molecule

ID:63903

General Information
Structure
MolImage
Molecular Formula
C₄H₂ClFN₂
Molecular Mass
132.5234832
Exact Mass
131.98905397
Charge
0
InChI
InChI=1S/C4H2ClFN2/c5-4-3(6)1-7-2-8-4/h1-2H
InChIKey
APSSAJKZELMQNM-UHFFFAOYSA-N
Canonic Smiles
Fc1cncnc1Cl
Isomeric Smiles
c1(c(F)cncn1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0166572
LogD (pH = 7.4)
1.0166593
Log P
1.0166593
Molar Refractivity
28.8048
Polarizability
10.370365
Polar Surface Area
25.78
Rotatable Bonds
0
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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