이름: (E)-methyl 2-(1-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)ethylideneaminooxy)acetate
SMILES:
COC(=O)CO/N=C(\C)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1Molecular Processing
Molecular formula
C19H17N7O3
Molecular weight
391.39
Exact mass
391.1393
XLogP
1.73
TPSA
117.27
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
104.14
Supplementary Information
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