Molecule

ID:41908

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄FN₃O₂
Molecular Mass
239.2461632
Exact Mass
239.10700492
Charge
0
InChI
InChI=1S/C11H14FN3O2/c1-13-4-6-14(7-5-13)11-3-2-9(15(16)17)8-10(11)12/h2-3,8H,4-7H2,1H3
InChIKey
UWZIHNDVFUJRHD-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ccc(cc1F)[N+](=O)[O-]
Isomeric Smiles
C1CN(CCN1c1c(cc(cc1)[N+](=O)[O-])F)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.56985587
LogD (pH = 7.4)
1.8846588
Log P
2.0110953
Molar Refractivity
64.0778
Polarizability
23.066412
Polar Surface Area
52.3
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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