이름: 2-((4-(3-methyl-5-(pyridin-4-yl)-3H-1,2,3-triazol-4-yl)phenoxy)methyl)quinoline
SMILES:
Cn1nnc(-c2ccncc2)c1-c1ccc(OCc2ccc3ccccc3n2)cc1Molecular Processing
Molecular formula
C24H19N5O
Molecular weight
393.45
Exact mass
393.159
XLogP
4.67
TPSA
65.72
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
115.75
Supplementary Information
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