Molecule

ID:53748

General Information
Structure
MolImage
Molecular Formula
C₈H₈FNO₃
Molecular Mass
185.1524232
Exact Mass
185.04882134
Charge
0
InChI
InChI=1S/C8H8FNO3/c1-5-3-8(13-2)7(10(11)12)4-6(5)9/h3-4H,1-2H3
InChIKey
ZDFSGAVCCAHLHZ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)c(cc1[N+](=O)[O-])F
Isomeric Smiles
c1([N+](=O)[O-])cc(c(cc1OC)C)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4116821
LogD (pH = 7.4)
2.4116821
Log P
2.4116821
Molar Refractivity
45.1035
Polarizability
16.291548
Polar Surface Area
55.05
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
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References
Bioactivity
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