Molecule

ID:94656

General Information
Structure
Molecular Formula
C₇H₉ClFN₃O
Molecular Mass
205.6172632
Exact Mass
205.04181782
Charge
0
InChI
InChI=1S/C7H8FN3O.ClH/c8-5-1-3-6(4-2-5)10-7(12)11-9;/h1-4H,9H2,(H2,10,11,12);1H
InChIKey
GJCCNYOFYLEBNA-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Nc1ccc(cc1)F.Cl
Isomeric Smiles
N(c1ccc(cc1)F)C(=O)NN.Cl
Calculated Properties
JChem
Acid pKa
13.116554
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
0.7225711
LogD (pH = 7.4)
0.7236227
Log P
0.72363687
Molar Refractivity
44.2982
Polarizability
15.667969
Polar Surface Area
67.15
Rotatable Bonds
1
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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