Molecule

ID:21958

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄FN₃O₃
Molecular Mass
267.2562632
Exact Mass
267.10191954
Charge
0
InChI
InChI=1S/C12H14FN3O3/c13-10-7-9(16(18)19)1-2-11(10)15-5-3-8(4-6-15)12(14)17/h1-2,7-8H,3-6H2,(H2,14,17)
InChIKey
FGOQYAIMZGNCRE-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CCN(CC1)c1ccc(cc1F)[N+](=O)[O-]
Isomeric Smiles
c1c(ccc(c1F)N1CCC(CC1)C(=O)N)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
14.880744
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4301435
LogD (pH = 7.4)
1.4301438
Log P
1.4301438
Molar Refractivity
68.2318
Polarizability
24.669851
Polar Surface Area
92.15
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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