이름: 2-(4-(pyridin-2-yl)but-3-ynyl)-2H-benzo[d][1,2,3]triazole
SMILES:
C(#Cc1ccccn1)CCn1nc2ccccc2n1Molecular Processing
Molecular formula
C15H12N4
Molecular weight
248.29
Exact mass
248.1062
XLogP
2.27
TPSA
43.6
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
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
0.133
Molar refractivity
73.26
Supplementary Information
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