Molecule

ID:65702

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClFN₂
Molecular Mass
146.5500632
Exact Mass
146.00470404
Charge
0
InChI
InChI=1S/C5H4ClFN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)
InChIKey
PANPPUXFOOUHIF-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)N)F
Isomeric Smiles
c1c(c(cc(n1)Cl)N)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8930935
LogD (pH = 7.4)
0.8935652
Log P
0.8935712
Molar Refractivity
34.684
Polarizability
12.302328
Polar Surface Area
38.91
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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