名称: 7-bromo-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline-6-carbonitrile
SMILES:
Cc1nnc2n1-c1ccc(Br)c(C#N)c1CC2Molecular Processing
Molecular formula
C12H9BrN4
Molecular weight
289.14
Exact mass
288.0011
XLogP
2.31
TPSA
54.5
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
65.92
Supplementary Information
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