이름: 2-(8-Bromooctyl)-4,5-diphenyltriazole
SMILES:
BrCCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)n1Molecular Processing
Molecular formula
C22H26BrN3
Molecular weight
412.38
Exact mass
411.131
XLogP
6.35
TPSA
30.71
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
26
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
0.364
Molar refractivity
112.39
Supplementary Information
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