Molecule

ID:10013

General Information
Structure
MolImage
Molecular Formula
C₃H₄F₃NO
Molecular Mass
127.0651696
Exact Mass
127.02449841
Charge
0
InChI
InChI=1S/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8)
InChIKey
IQNHBUQSOSYAJU-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)C(F)(F)F
Isomeric Smiles
FC(F)(F)C(=O)NC
Calculated Properties
JChem
Acid pKa
5.7927594
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.1713841
LogD (pH = 7.4)
-0.54267037
Log P
0.32571638
Molar Refractivity
20.3728
Polarizability
7.3718815
Polar Surface Area
29.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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