Molecule

ID:54406

General Information
Structure
MolImage
Molecular Formula
C₅H₂ClFIN
Molecular Mass
257.4319532
Exact Mass
256.89045297
Charge
0
InChI
InChI=1S/C5H2ClFIN/c6-4-3(8)1-2-9-5(4)7/h1-2H
InChIKey
NPDICENVXROWJV-UHFFFAOYSA-N
Canonic Smiles
Ic1ccnc(c1Cl)F
Isomeric Smiles
c1(c(c(ccn1)I)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.825195
LogD (pH = 7.4)
2.825195
Log P
2.825195
Molar Refractivity
43.2995
Polarizability
16.633598
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
No Data Available
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Molecule Details
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References
Bioactivity
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