Molecule

ID:7238

General Information
Structure
MolImage
Molecular Formula
C₇H₄FNO₃
Molecular Mass
169.1099632
Exact Mass
169.01752121
Charge
0
InChI
InChI=1S/C7H4FNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H
InChIKey
KKAFVHUJZPVWND-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)ccc1[N+](=O)[O-]
Isomeric Smiles
c1(ccc(c(c1)C=O)[N+](=O)[O-])F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7684343
LogD (pH = 7.4)
1.7684343
Log P
1.7684343
Molar Refractivity
39.1789
Polarizability
13.95721
Polar Surface Area
60.21
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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