Molecule
ID:97357
General Information
Molecular Formula
C₇H₃ClFNO₃
Molecular Mass
203.5550232
Exact Mass
202.97854886
Charge
0
InChI
InChI=1S/C7H3ClFNO3/c8-7(11)4-1-2-6(10(12)13)5(9)3-4/h1-3H
InChIKey
DPAMLESDGWVDBW-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(c(c1)F)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(cc(cc1)C(=O)Cl)F)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2468445
LogD (pH = 7.4)
2.2468445
Log P
2.2468445
Molar Refractivity
44.7138
Polarizability
15.932239
Polar Surface Area
62.89
Rotatable Bonds
2
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
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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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