Molecule

ID:64305

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClFN₃
Molecular Mass
147.5381232
Exact Mass
146.99995301
Charge
0
InChI
InChI=1S/C4H3ClFN3/c5-4-8-1-2(6)3(7)9-4/h1H,(H2,7,8,9)
InChIKey
SLQAJWTZUXJPNY-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)N)F
Isomeric Smiles
n1c(c(cnc1Cl)F)N
Calculated Properties
JChem
Acid pKa
16.924736
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8665021
LogD (pH = 7.4)
0.8665191
Log P
0.86651933
Molar Refractivity
33.4512
Polarizability
11.575769
Polar Surface Area
51.8
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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