Molecule

ID:95147

General Information
Structure
Molecular Formula
C₅H₃ClFN
Molecular Mass
131.5354232
Exact Mass
130.993805
Charge
0
InChI
InChI=1S/C5H3ClFN/c6-4-3-8-2-1-5(4)7/h1-3H
InChIKey
UKQHXVNMBBOXMF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccncc1Cl
Isomeric Smiles
n1cc(c(cc1)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5006698
LogD (pH = 7.4)
1.5022992
Log P
1.50232
Molar Refractivity
28.9223
Polarizability
11.111152
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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