SMILES:
C=C(Cl)COc1ccc(Br)cc1CN(CC)c1ccc(-c2nnn[nH]2)cn1Molecular Processing
Molecular formula
C18H18BrClN6O
Molecular weight
449.74
Exact mass
448.0414
XLogP
4.18
TPSA
79.82
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
108.76
Supplementary Information
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