Name: 4-(5-amino-6-methylisoquinolin-1-ylamino)benzonitrile
SMILES:
Cc1ccc2c(Nc3ccc(C#N)cc3)nccc2c1NMolecular Processing
Molecular formula
C17H14N4
Molecular weight
274.33
Exact mass
274.1218
XLogP
3.74
TPSA
74.73
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
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
0.059
Molar refractivity
85.33
Supplementary Information
Details werden geladen…
An 6 Reaktionen beteiligt→