Molecule

ID:97272

General Information
Structure
Molecular Formula
C₁₅H₉FN₂O₄
Molecular Mass
300.2413632
Exact Mass
300.054635
Charge
0
InChI
InChI=1S/C15H9FN2O4/c16-9-3-1-8(2-4-9)14(19)15-13(17)11-6-5-10(18(20)21)7-12(11)22-15/h1-7H,17H2
InChIKey
HHCJRBNMQMQWBL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)c1oc2c(c1N)ccc(c2)[N+](=O)[O-]
Isomeric Smiles
o1c2c(ccc(c2)[N+](=O)[O-])c(c1C(=O)c1ccc(cc1)F)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.4154835
LogD (pH = 7.4)
3.4154835
Log P
3.4154835
Molar Refractivity
77.5936
Polarizability
29.069683
Polar Surface Area
102.05
Rotatable Bonds
3
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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