Molecule

ID:99455

General Information
Structure
MolImage
Molecular Formula
C₈H₈FNO₄
Molecular Mass
201.1518232
Exact Mass
201.04373596
Charge
0
InChI
InChI=1S/C8H8FNO4/c1-13-6-4-3-5(10(11)12)8(14-2)7(6)9/h3-4H,1-2H3
InChIKey
GUGQUCUSGQOTGG-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)c(OC)ccc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(c(c(cc1)OC)F)OC)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7405894
LogD (pH = 7.4)
1.7405894
Log P
1.7405894
Molar Refractivity
46.5255
Polarizability
17.117655
Polar Surface Area
64.28
Rotatable Bonds
3
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
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References
Bioactivity
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