Name: 3-iodo-1H-indazole-6-carbonitrile
SMILES:
N#Cc1ccc2c(I)n[nH]c2c1Molecular Processing
Molecular formula
C8H4IN3
Molecular weight
269.05
Exact mass
268.945
XLogP
2.04
TPSA
52.47
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
53.53
Supplementary Information
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