SMILES:
Clc1cccnc1N1CCc2ncnc(Nc3ccccc3)c2C1Molecular Processing
Molecular formula
C18H16ClN5
Molecular weight
337.81
Exact mass
337.1094
XLogP
3.83
TPSA
53.94
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
95.76
Supplementary Information
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Involved in 3 reactions→