Molecule

ID:42829

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀FN₃O₄
Molecular Mass
325.3354032
Exact Mass
325.14378436
Charge
0
InChI
InChI=1S/C15H20FN3O4/c1-15(2,3)23-14(20)18-8-6-17(7-9-18)13-5-4-11(19(21)22)10-12(13)16/h4-5,10H,6-9H2,1-3H3
InChIKey
YOLVWCABLVHASL-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)c1ccc(cc1F)[N+](=O)[O-])OC(C)(C)C
Isomeric Smiles
c1cc(cc(c1N1CCN(CC1)C(=O)OC(C)(C)C)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9112406
LogD (pH = 7.4)
2.9112406
Log P
2.9112406
Molar Refractivity
82.774
Polarizability
30.881409
Polar Surface Area
75.92
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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