Molecule

ID:7306

General Information
Structure
Molecular Formula
C₈H₇F₄N
Molecular Mass
193.1414928
Exact Mass
193.05146211
Charge
0
InChI
InChI=1S/C8H7F4N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4,13H2
InChIKey
HZDVQEUISWBXPV-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(c(c1)C(F)(F)F)F
Isomeric Smiles
c1c(c(cc(c1)CN)C(F)(F)F)F
Calculated Properties
JChem
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.84745747
LogD (pH = 7.4)
0.2295545
Log P
2.1195648
Molar Refractivity
40.7215
Polarizability
14.66947
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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