[N-]=[N+]=NCC1Cc2c(Cl)cc3c(c2O1)CCC3
名称: azide
SMILES: [N-]=[N+]=NCC1Cc2c(Cl)cc3c(c2O1)CCC3

Molecular Processing

Molecular formula
C12H12ClN3O
Molecular weight
249.7
Exact mass
249.0669
XLogP
3.44
TPSA
57.99
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
65.61

Supplementary Information

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