Molecule

ID:68500

General Information
Structure
MolImage
Molecular Formula
C₇H₄FNO₄
Molecular Mass
185.1093632
Exact Mass
185.01243583
Charge
0
InChI
InChI=1S/C7H4FNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)
InChIKey
DTGONJAUUOWYGB-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(F)cccc1C(=O)O
Isomeric Smiles
C(=O)(c1c(c(ccc1)F)[N+](=O)[O-])O
Calculated Properties
JChem
Acid pKa
1.3487784
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.7229414
LogD (pH = 7.4)
-1.8146489
Log P
1.7135148
Molar Refractivity
39.8511
Polarizability
14.515296
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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