Molecule

ID:68564

General Information
Structure
MolImage
Molecular Formula
C₇H₄FNO₄
Molecular Mass
185.1093632
Exact Mass
185.01243583
Charge
0
InChI
InChI=1S/C7H4FNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)
InChIKey
VIPUIECMSDQUIK-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Isomeric Smiles
C(=O)(c1cc(cc(c1)[N+](=O)[O-])F)O
Calculated Properties
JChem
Acid pKa
3.1536982
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.60714906
LogD (pH = 7.4)
-1.739723
Log P
1.7135148
Molar Refractivity
39.8511
Polarizability
14.510999
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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