Molecule

ID:9519

General Information
Structure
MolImage
Molecular Formula
C₁₁H₄ClF₆N
Molecular Mass
299.5995792
Exact Mass
298.99364613
Charge
0
InChI
InChI=1S/C11H4ClF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H
InChIKey
ZSQOESPYYNJBCZ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1c2c(nc(cc2Cl)C(F)(F)F)c(cc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.8764925
LogD (pH = 7.4)
4.8764925
Log P
4.8764925
Molar Refractivity
56.3595
Polarizability
21.405128
Polar Surface Area
12.89
Rotatable Bonds
2
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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