Molecule

ID:94947

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClFNO₃
Molecular Mass
203.5550232
Exact Mass
202.97854886
Charge
0
InChI
InChI=1S/C7H3ClFNO3/c8-7(11)5-3-4(10(12)13)1-2-6(5)9/h1-3H
InChIKey
SXJNRYPVXFTJOU-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1)C(=O)Cl)F
Isomeric Smiles
ClC(=O)c1c(ccc(c1)[N+](=O)[O-])F
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
15.932575
Polar Surface Area
62.89
Rotatable Bonds
2
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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