Molecule

ID:95001

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClFIN₂
Molecular Mass
288.4890532
Exact Mass
287.93265213
Charge
0
InChI
InChI=1S/C6H6FIN2.ClH/c7-5-3-4(8)1-2-6(5)10-9;/h1-3,10H,9H2;1H
InChIKey
YAHTZRMOKVQZPS-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1F)I.Cl
Isomeric Smiles
N(c1c(cc(cc1)I)F)N.Cl
Calculated Properties
JChem
Acid pKa
16.428715
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.347494
LogD (pH = 7.4)
2.4351754
Log P
2.436535
Molar Refractivity
49.3436
Polarizability
17.926592
Polar Surface Area
38.05
Rotatable Bonds
1
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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