Molecule

ID:22341

General Information
Structure
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Molecular Formula
C₅H₃ClFN
Molecular Mass
131.5354232
Exact Mass
130.993805
Charge
0
InChI
InChI=1S/C5H3ClFN/c6-4-1-5(7)3-8-2-4/h1-3H
InChIKey
LTILYPOSFJLPSK-UHFFFAOYSA-N
Canonic Smiles
Fc1cncc(c1)Cl
Isomeric Smiles
c1(cncc(c1)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5023116
LogD (pH = 7.4)
1.5023199
Log P
1.50232
Molar Refractivity
28.9223
Polarizability
11.0922785
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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