Molecule

ID:40032

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClFNO₃
Molecular Mass
191.5443232
Exact Mass
190.97854886
Charge
0
InChI
InChI=1S/C6H3ClFNO3/c7-3-1-4(8)5(9(11)12)2-6(3)10/h1-2,10H
InChIKey
NAWVMCKMQMJQMF-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(O)c(cc1F)Cl
Isomeric Smiles
c1(c(cc(c(c1)O)Cl)F)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
6.3329296
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2974212
LogD (pH = 7.4)
1.2946872
Log P
2.3564112
Molar Refractivity
39.3806
Polarizability
14.710783
Polar Surface Area
63.37
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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