Molecule

ID:95024

General Information
Structure
Molecular Formula
C₇H₅ClFNO₂
Molecular Mass
189.5715032
Exact Mass
188.99928431
Charge
0
InChI
InChI=1S/C7H5ClFNO2/c1-4-6(8)2-5(9)3-7(4)10(11)12/h2-3H,1H3
InChIKey
ZUWXKAQJFDVCDD-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Cl)c(c(c1)[N+](=O)[O-])C
Isomeric Smiles
Clc1c(c(cc(c1)F)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.173398
LogD (pH = 7.4)
3.173398
Log P
3.173398
Molar Refractivity
43.4451
Polarizability
15.708808
Polar Surface Area
45.82
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
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Molecule Details
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References
Bioactivity
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