Molecule

ID:64936

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClF₃IN
Molecular Mass
363.5457796
Exact Mass
362.94985967
Charge
0
InChI
InChI=1S/C10H9F3IN.ClH/c11-10(12,13)7-3-6-5-15-2-1-8(6)9(14)4-7;/h3-4,15H,1-2,5H2;1H
InChIKey
BVAKPJYFEIMXBP-UHFFFAOYSA-N
Canonic Smiles
Ic1cc(cc2c1CCNC2)C(F)(F)F.Cl
Isomeric Smiles
c1c(cc(c2c1CNCC2)I)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.31522202
LogD (pH = 7.4)
1.7447845
Log P
3.378276
Molar Refractivity
61.9518
Polarizability
23.100103
Polar Surface Area
12.03
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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