Molecule

ID:22049

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃FN₂O₂
Molecular Mass
224.2315232
Exact Mass
224.09610589
Charge
0
InChI
InChI=1S/C11H13FN2O2/c12-9-4-5-10(11(8-9)14(15)16)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKey
YSBDMNNCMGUEAL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)[N+](=O)[O-])N1CCCCC1
Isomeric Smiles
c1c(ccc(c1[N+](=O)[O-])N1CCCCC1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0143106
LogD (pH = 7.4)
3.0143416
Log P
3.0143418
Molar Refractivity
60.1697
Polarizability
21.539448
Polar Surface Area
49.06
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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