Molecule

ID:99325

General Information
Structure
MolImage
Molecular Formula
C₉H₈FNO₄
Molecular Mass
213.1625232
Exact Mass
213.04373596
Charge
0
InChI
InChI=1S/C9H8FNO4/c1-5-3-7(10)8(11(13)14)4-6(5)9(12)15-2/h3-4H,1-2H3
InChIKey
JUCFNZJKUATDQS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc([N+](=O)[O-])c(cc1C)F
Isomeric Smiles
O=C(c1c(cc(c(c1)[N+](=O)[O-])F)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5728302
LogD (pH = 7.4)
2.5728302
Log P
2.5728302
Molar Refractivity
50.6656
Polarizability
18.260033
Polar Surface Area
72.12
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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