Molecule

ID:100121

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆ClF₄N
Molecular Mass
263.6186528
Exact Mass
263.01248976
Charge
0
InChI
InChI=1S/C11H6ClF4N/c1-5-2-6-7(12)3-10(11(14,15)16)17-9(6)4-8(5)13/h2-4H,1H3
InChIKey
CEFMUTPURRWZDQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2c(Cl)cc(nc2cc1F)C(F)(F)F
Isomeric Smiles
n1c(cc(c2c1cc(c(c2)C)F)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.654767
LogD (pH = 7.4)
4.6547675
Log P
4.6547675
Molar Refractivity
55.6434
Polarizability
21.461672
Polar Surface Area
12.89
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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