Molecule

ID:8153

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₃NO
Molecular Mass
175.1079696
Exact Mass
175.02449841
Charge
0
InChI
InChI=1S/C7H4F3NO/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H2,11,12)
InChIKey
NCMVOBYFZPFCOH-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cc(F)c(c(c1)F)F
Isomeric Smiles
c1c(C(=O)N)cc(F)c(c1F)F
Calculated Properties
JChem
Acid pKa
13.131991
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2519919
LogD (pH = 7.4)
1.2519926
Log P
1.2519919
Molar Refractivity
35.7856
Polarizability
12.60813
Polar Surface Area
43.09
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
No Data Available
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Molecule Details
References
Bioactivity
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