Molecule

ID:7547

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₅NO
Molecular Mass
225.115476
Exact Mass
225.02130485
Charge
0
InChI
InChI=1S/C8H4F5NO/c1-14-15-2-3-4(9)6(11)8(13)7(12)5(3)10/h1-2H2
InChIKey
SRTQFRQWTUMMTC-UHFFFAOYSA-N
Canonic Smiles
C=NOCc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)CON=C)F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3584347
LogD (pH = 7.4)
2.3584478
Log P
2.3584478
Molar Refractivity
40.3056
Polarizability
14.628864
Polar Surface Area
21.59
Rotatable Bonds
3
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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