Molecule

ID:101663

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₄NO
Molecular Mass
205.1091328
Exact Mass
205.0150766
Charge
0
InChI
InChI=1S/C8H3F4NO/c9-6-1-5(8(10,11)12)2-7(3-6)13-4-14/h1-3H
InChIKey
WGSXKYXKAARAKD-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1cc(F)cc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(N=C=O)cc(c1)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9033518
LogD (pH = 7.4)
2.9033518
Log P
2.9033518
Molar Refractivity
41.3201
Polarizability
13.906065
Polar Surface Area
29.43
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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