Molecule

ID:70146

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClFIN
Molecular Mass
271.4585332
Exact Mass
270.90610303
Charge
0
InChI
InChI=1S/C6H4ClFIN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey
SSNQXCONXNVTJN-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(F)c(c(c1)I)N
Isomeric Smiles
Nc1c(cc(cc1I)Cl)F
Calculated Properties
JChem
Acid pKa
16.595402
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8200026
LogD (pH = 7.4)
2.820011
Log P
2.820011
Molar Refractivity
49.1421
Polarizability
18.513035
Polar Surface Area
26.02
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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