Molecule

ID:59443

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClFN₃
Molecular Mass
147.5381232
Exact Mass
146.99995301
Charge
0
InChI
InChI=1S/C4H3ClFN3/c5-3-2(6)4(7)9-1-8-3/h1H,(H2,7,8,9)
InChIKey
FEIFDRDCVMVUJA-UHFFFAOYSA-N
Canonic Smiles
Fc1c(N)ncnc1Cl
Isomeric Smiles
c1nc(c(c(n1)N)F)Cl
Calculated Properties
JChem
Acid pKa
16.855347
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7820474
LogD (pH = 7.4)
0.782189
Log P
0.7821908
Molar Refractivity
33.8187
Polarizability
11.547649
Polar Surface Area
51.8
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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