Molecule

ID:95327

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇ClFNO₄
Molecular Mass
295.6503832
Exact Mass
295.00476361
Charge
0
InChI
InChI=1S/C13H7ClFNO4/c14-10-4-2-1-3-9(10)13(17)20-12-7-8(15)5-6-11(12)16(18)19/h1-7H
InChIKey
FWOIZBPDLQNFFF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)OC(=O)c1ccccc1Cl)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(cc(cc1)F)OC(=O)c1ccccc1Cl)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.321412
LogD (pH = 7.4)
4.321412
Log P
4.321412
Molar Refractivity
70.2068
Polarizability
26.0793
Polar Surface Area
72.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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