Molecule

ID:15070

General Information
Structure
MolImage
Molecular Formula
C₇H₄FNO₄
Molecular Mass
185.1093632
Exact Mass
185.01243583
Charge
0
InChI
InChI=1S/C7H4FNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)
InChIKey
MPDZCNPDHUUPRL-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1C(=O)O)F
Isomeric Smiles
c1ccc(c(c1[N+](=O)[O-])C(=O)O)F
Calculated Properties
JChem
Acid pKa
0.88627523
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.7815896
LogD (pH = 7.4)
-1.8155028
Log P
1.7135148
Molar Refractivity
39.8511
Polarizability
14.51581
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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