Name: 2-(5-aminomethyl-pyridin-3-yl)-1-methyl-1H-indole-3-carbonitrile
SMILES:
Cn1c(-c2cncc(CN)c2)c(C#N)c2ccccc21Molecular Processing
Molecular formula
C16H14N4
Molecular weight
262.32
Exact mass
262.1218
XLogP
2.57
TPSA
67.63
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
78.76
Supplementary Information
Details werden geladen…
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