Molecule

ID:7548

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClF₅NO
Molecular Mass
249.565716
Exact Mass
248.99798257
Charge
0
InChI
InChI=1S/C7H4F5NO.ClH/c8-3-2(1-14-13)4(9)6(11)7(12)5(3)10;/h1,13H2;1H
InChIKey
HVMVKNXIMUCYJA-UHFFFAOYSA-N
Canonic Smiles
NOCc1c(F)c(F)c(c(c1F)F)F.Cl
Isomeric Smiles
c1(c(c(c(c(c1F)CON)F)F)F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0678637
LogD (pH = 7.4)
2.0753508
Log P
2.075447
Molar Refractivity
38.0256
Polarizability
13.599472
Polar Surface Area
35.25
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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