Molecule

ID:7387

General Information
Structure
Molecular Formula
C₇H₄FNO₄
Molecular Mass
185.1093632
Exact Mass
185.01243583
Charge
0
InChI
InChI=1S/C7H4FNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
InChIKey
BOJWTAQWPVBIPG-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1F)C(=O)O
Isomeric Smiles
c1c(c(cc(c1)C(=O)O)[N+](=O)[O-])F
Calculated Properties
JChem
Acid pKa
3.6678848
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.116314225
LogD (pH = 7.4)
-1.604613
Log P
1.7135148
Molar Refractivity
39.8511
Polarizability
14.51101
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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