Molecule

ID:94240

General Information
Structure
MolImage
Molecular Formula
C₉H₈FNO₄
Molecular Mass
213.1625232
Exact Mass
213.04373596
Charge
0
InChI
InChI=1S/C9H8FNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
InChIKey
YONVBKVUSUGBQR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])F
Isomeric Smiles
O(C(=O)c1ccc(c(c1)[N+](=O)[O-])F)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4162169
LogD (pH = 7.4)
2.4162169
Log P
2.4162169
Molar Refractivity
49.3688
Polarizability
18.327827
Polar Surface Area
69.44
Rotatable Bonds
4
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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