Molecule

ID:41515

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇FN₂O₂
Molecular Mass
218.1838832
Exact Mass
218.04915569
Charge
0
InChI
InChI=1S/C11H7FN2O2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13-11)14(15)16/h1-7H
InChIKey
IXAGUEHBMXZMNQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1ccc(cn1)[N+](=O)[O-]
Isomeric Smiles
c1(cnc(cc1)c1ccc(cc1)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.871331
LogD (pH = 7.4)
2.8713353
Log P
2.8713353
Molar Refractivity
56.2064
Polarizability
21.901688
Polar Surface Area
58.71
Rotatable Bonds
2
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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