Name: 3-(5-ethyl-6-methyl-1H-benzoimidazol-2-yl)-1H-indazole-5-carbonitrile
SMILES:
CCc1cc2nc(-c3n[nH]c4ccc(C#N)cc34)[nH]c2cc1CMolecular Processing
Molecular formula
C18H15N5
Molecular weight
301.35
Exact mass
301.1327
XLogP
3.85
TPSA
81.15
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
90.01
Supplementary Information
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