이름: (E)-1-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)ethanone O-2-hydroxyethyl oxime
SMILES:
C/C(=N\OCCO)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1Molecular Processing
Molecular formula
C18H17N7O2
Molecular weight
363.38
Exact mass
363.1444
XLogP
1.55
TPSA
111.2
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
27
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
99.21
Supplementary Information
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