Molecule

ID:97222

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₅N
Molecular Mass
231.550436
Exact Mass
230.98741788
Charge
0
InChI
InChI=1S/C7H3ClF5N/c8-3-1-2(7(11,12)13)4(9)5(10)6(3)14/h1H,14H2
InChIKey
SBXZMNBNIFKFNA-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(c(c(c1N)F)F)C(F)(F)F
Isomeric Smiles
Clc1c(c(c(c(c1)C(F)(F)F)F)F)N
Calculated Properties
JChem
Acid pKa
14.949194
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9116168
LogD (pH = 7.4)
2.9116168
Log P
2.9116168
Molar Refractivity
41.9697
Polarizability
14.585517
Polar Surface Area
26.02
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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