Molecule

ID:100271

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClF₃N
Molecular Mass
271.6654696
Exact Mass
271.03756163
Charge
0
InChI
InChI=1S/C13H9ClF3N/c14-7-9-1-3-10(4-2-9)12-6-5-11(8-18-12)13(15,16)17/h1-6,8H,7H2
InChIKey
JTXHHQDYEHXWPC-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)c1ccc(cn1)C(F)(F)F
Isomeric Smiles
n1cc(ccc1c1ccc(cc1)CCl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.250634
LogD (pH = 7.4)
4.2537003
Log P
4.25374
Molar Refractivity
64.5059
Polarizability
25.023905
Polar Surface Area
12.89
Rotatable Bonds
3
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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