Molecule

ID:58236

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀FN₃O
Molecular Mass
183.1829032
Exact Mass
183.08079018
Charge
0
InChI
InChI=1S/C8H10FN3O/c9-6-1-3-7(4-2-6)11-5-8(13)12-10/h1-4,11H,5,10H2,(H,12,13)
InChIKey
BNBXEYVSKUPDQJ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CNc1ccc(cc1)F
Isomeric Smiles
C(=O)(NN)CNc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
11.8544235
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.037931032
LogD (pH = 7.4)
-0.036738347
Log P
-0.03670912
Molar Refractivity
48.8591
Polarizability
17.506937
Polar Surface Area
67.15
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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