[N-]=[N+]=NCc1cc(Cl)ccc1-c1nsnc1Cl
名称: 3-[2-(azidomethyl)-4-chlorophenyl]-4-chloro-1,2,5-thiadiazole
SMILES: [N-]=[N+]=NCc1cc(Cl)ccc1-c1nsnc1Cl

Molecular Processing

Molecular formula
C9H5Cl2N5S
Molecular weight
286.15
Exact mass
284.9643
XLogP
4.32
TPSA
74.54
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
68.22

Supplementary Information

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