Molecule

ID:95585

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇ClF₆N₂O
Molecular Mass
356.6508992
Exact Mass
356.01510985
Charge
0
InChI
InChI=1S/C13H7ClF6N2O/c14-6-11-21-10(22-23-11)2-1-7-3-8(12(15,16)17)5-9(4-7)13(18,19)20/h1-5H,6H2
InChIKey
ZELCQHTUHQJRCV-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)/C=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
n1c(onc1/C=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.449646
LogD (pH = 7.4)
5.449646
Log P
5.449646
Molar Refractivity
72.856
Polarizability
25.142132
Polar Surface Area
38.92
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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