Molecule

ID:54899

General Information
Structure
MolImage
Molecular Formula
C₄H₂Cl₂FN₃
Molecular Mass
181.9831832
Exact Mass
180.96098066
Charge
0
InChI
InChI=1S/C4H2Cl2FN3/c5-2-1(7)3(6)10-4(8)9-2/h(H2,8,9,10)
InChIKey
PSEWFMLZDMIBMC-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(Cl)c(c(n1)Cl)F
Isomeric Smiles
c1(nc(c(c(n1)Cl)F)Cl)N
Calculated Properties
JChem
Acid pKa
16.288445
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6907407
LogD (pH = 7.4)
1.6907412
Log P
1.6907412
Molar Refractivity
39.3173
Polarizability
13.63827
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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