Molecule

ID:43984

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₃IN₂
Molecular Mass
312.0304396
Exact Mass
311.9371308
Charge
0
InChI
InChI=1S/C8H4F3IN2/c9-8(10,11)5-3-6(12)7-13-1-2-14(7)4-5/h1-4H
InChIKey
HGFIGHYABOIOEP-UHFFFAOYSA-N
Canonic Smiles
Ic1cc(cn2c1ncc2)C(F)(F)F
Isomeric Smiles
c1(cn2c(c(c1)I)ncc2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1660643
LogD (pH = 7.4)
2.5568519
Log P
2.5663424
Molar Refractivity
55.2726
Polarizability
20.095604
Polar Surface Area
17.3
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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