Molecule

ID:13762

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClFN
Molecular Mass
131.5354232
Exact Mass
130.993805
Charge
0
InChI
InChI=1S/C5H3ClFN/c6-5-3-4(7)1-2-8-5/h1-3H
InChIKey
FGSAQRJRWCZLOB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccnc(c1)Cl
Isomeric Smiles
c1cnc(cc1F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.722488
LogD (pH = 7.4)
1.7224971
Log P
1.7224972
Molar Refractivity
29.9836
Polarizability
11.133721
Polar Surface Area
12.89
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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