Molecule

ID:95288

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇ClFNO₅
Molecular Mass
323.6604832
Exact Mass
322.99967823
Charge
0
InChI
InChI=1S/C14H7ClFNO5/c15-10-2-1-3-11(16)13(10)14(19)22-12-5-4-9(17(20)21)6-8(12)7-18/h1-7H
InChIKey
ZGWWQPJNZPCJIS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(ccc1OC(=O)c1c(F)cccc1Cl)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(c(cc1)OC(=O)c1c(cccc1Cl)F)C=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.0339146
LogD (pH = 7.4)
4.0339146
Log P
4.0339146
Molar Refractivity
76.7908
Polarizability
28.042591
Polar Surface Area
89.19
Rotatable Bonds
5
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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