Molecule

ID:7170

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClFNO₂
Molecular Mass
175.5449232
Exact Mass
174.98363424
Charge
0
InChI
InChI=1S/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
InChIKey
PTCPUGKKWNMITF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)F)[N+](=O)[O-]
Isomeric Smiles
c1cc(cc(c1[N+](=O)[O-])F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6599767
LogD (pH = 7.4)
2.6599767
Log P
2.6599767
Molar Refractivity
37.3997
Polarizability
13.979574
Polar Surface Area
43.14
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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