Name: 3-iodo-2-methyl-1H-indazole-6-carbonitrile
SMILES:
CN1Nc2cc(C#N)ccc2C1IMolecular Processing
Molecular formula
C9H8IN3
Molecular weight
285.09
Exact mass
284.9763
XLogP
2.26
TPSA
39.06
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
59.3
Supplementary Information
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