Molecule

ID:43604

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClF₃N₂
Molecular Mass
220.5789696
Exact Mass
220.00151048
Charge
0
InChI
InChI=1S/C8H4ClF3N2/c9-5-1-2-7-13-6(8(10,11)12)4-14(7)3-5/h1-4H
InChIKey
NRZYRLQVLCUDQH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(c1)cc(n2)C(F)(F)F
Isomeric Smiles
c1(nc2n(c1)cc(cc2)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6131854
LogD (pH = 7.4)
2.6271122
Log P
2.6272929
Molar Refractivity
46.3429
Polarizability
16.534603
Polar Surface Area
17.3
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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