Molecule

ID:70191

General Information
Structure
MolImage
Molecular Formula
C₇H₃FN₂O₂
Molecular Mass
166.1093232
Exact Mass
166.01785557
Charge
0
InChI
InChI=1S/C7H3FN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H
InChIKey
MNEAKKQYFSYZEU-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1[N+](=O)[O-])F
Isomeric Smiles
C(#N)c1c(cc(cc1)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9120281
LogD (pH = 7.4)
1.9120281
Log P
1.9120281
Molar Refractivity
38.3165
Polarizability
13.860618
Polar Surface Area
66.93
Rotatable Bonds
1
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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