Molecule

ID:7471

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClFNO₂
Molecular Mass
175.5449232
Exact Mass
174.98363424
Charge
0
InChI
InChI=1S/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
InChIKey
DPHCXXYPSYMICK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1)Cl)F
Isomeric Smiles
c1(ccc(cc1Cl)[N+](=O)[O-])F
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
13.998298
Polar Surface Area
43.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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