Molecule

ID:9671

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClFN₅
Molecular Mass
231.6578432
Exact Mass
231.06870128
Charge
0
InChI
InChI=1S/C8H10FN5.ClH/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H
InChIKey
IWYOYHXLNBELKJ-UHFFFAOYSA-N
Canonic Smiles
NC(=N)NC(=N)Nc1cccc(c1)F.Cl
Isomeric Smiles
c1cc(cc(c1)NC(=N)NC(=N)N)F.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
-3.7277493
LogD (pH = 7.4)
-2.1420968
Log P
0.86876506
Molar Refractivity
73.1228
Polarizability
18.59753
Polar Surface Area
97.78
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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