Name: 5-bromo-6-(2-phenylethynyl)-4-(pyridin-4-yl)pyridin-2-amine
SMILES:
Nc1cc(-c2ccncc2)c(Br)c(C#Cc2ccccc2)n1Molecular Processing
Molecular formula
C18H12BrN3
Molecular weight
350.22
Exact mass
349.0215
XLogP
3.89
TPSA
51.8
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
92
Supplementary Information
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