Molecule

ID:94242

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇ClFNO₃
Molecular Mass
279.6509832
Exact Mass
279.00984899
Charge
0
InChI
InChI=1S/C13H7ClFNO3/c14-11-6-3-9(7-12(11)16(18)19)13(17)8-1-4-10(15)5-2-8/h1-7H
InChIKey
ZUMMQWOIAMKUOT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Isomeric Smiles
O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.1193295
LogD (pH = 7.4)
4.1193295
Log P
4.1193295
Molar Refractivity
67.9752
Polarizability
25.514019
Polar Surface Area
60.21
Rotatable Bonds
3
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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