Molecule

ID:23780

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₃IN
Molecular Mass
272.9943996
Exact Mass
272.92623176
Charge
0
InChI
InChI=1S/C6H3F3IN/c7-6(8,9)4-1-2-5(10)11-3-4/h1-3H
InChIKey
WSEVWIIOEQZEOU-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cn1)C(F)(F)F
Isomeric Smiles
c1(cnc(cc1)I)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5949492
LogD (pH = 7.4)
2.594954
Log P
2.594954
Molar Refractivity
42.9454
Polarizability
16.401548
Polar Surface Area
12.89
Rotatable Bonds
1
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
References
Bioactivity
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