Molecule

ID:69217

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClFNO₄
Molecular Mass
219.5544232
Exact Mass
218.97346348
Charge
0
InChI
InChI=1S/C7H3ClFNO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,(H,11,12)
InChIKey
SYZKAFCPWNFONG-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(C(=O)O)c(cc1F)Cl
Isomeric Smiles
C(=O)(c1c(cc(c(c1)[N+](=O)[O-])F)Cl)O
Calculated Properties
JChem
Acid pKa
2.6810327
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.42478558
LogD (pH = 7.4)
-1.1847137
Log P
2.3175595
Molar Refractivity
44.6559
Polarizability
16.539429
Polar Surface Area
80.44
Rotatable Bonds
2
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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