Molecule

ID:44519

General Information
Structure
Molecular Formula
C₈H₆FNO₄
Molecular Mass
199.1359432
Exact Mass
199.0280859
Charge
0
InChI
InChI=1S/C8H6FNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3
InChIKey
JZLONOOYIXEAHM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(ccc1F)[N+](=O)[O-]
Isomeric Smiles
c1cc(cc(c1F)C(=O)OC)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.059409
LogD (pH = 7.4)
2.059409
Log P
2.059409
Molar Refractivity
44.6202
Polarizability
16.526491
Polar Surface Area
69.44
Rotatable Bonds
3
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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