Molecule

ID:7239

General Information
Structure
Molecular Formula
C₇H₄FNO₄
Molecular Mass
185.1093632
Exact Mass
185.01243583
Charge
0
InChI
InChI=1S/C7H4FNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey
GHYZIXDKAPMFCS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)O)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(c(c1)C(=O)O)[N+](=O)[O-])F
Calculated Properties
JChem
Acid pKa
1.2837415
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.7347442
LogD (pH = 7.4)
-1.81483
Log P
1.7135148
Molar Refractivity
39.8511
Polarizability
14.514036
Polar Surface Area
80.44
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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