Molecule

ID:12150

General Information
Structure
MolImage
Molecular Formula
C₃H₄F₃NO
Molecular Mass
127.0651696
Exact Mass
127.02449841
Charge
0
InChI
InChI=1S/C3H4F3NO/c1-2(7-8)3(4,5)6/h8H,1H3/b7-2-
InChIKey
QBGAUYNVSUJLTH-UQCOIBPSSA-N
Canonic Smiles
O/N=C(\C(F)(F)F)/C
Isomeric Smiles
C(=N\O)(\C(F)(F)F)/C
Calculated Properties
JChem
Acid pKa
-4.17511
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1282443
LogD (pH = 7.4)
-1.1283097
Log P
1.2480882
Molar Refractivity
21.0267
Polarizability
7.529644
Polar Surface Area
32.59
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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