Molecule

ID:96038

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClF₆N₆
Molecular Mass
364.6779592
Exact Mass
364.06379138
Charge
0
InChI
InChI=1S/C10H10F6N6.ClH/c11-9(12,13)4-1-5(10(14,15)16)3-6(2-4)20-7(17)21-8(18)22-19;/h1-3H,19H2,(H5,17,18,20,21,22);1H
InChIKey
FELVUEIEYFMGQG-UHFFFAOYSA-N
Canonic Smiles
NNC(=N)NC(=N)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F.Cl
Isomeric Smiles
N(C(=N)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=N)NN.Cl
Calculated Properties
JChem
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
-1.8569902
LogD (pH = 7.4)
0.15887102
Log P
2.2501178
Molar Refractivity
99.8307
Polarizability
23.153757
Polar Surface Area
109.81
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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