SMILES:
CNC1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1Molecular Processing
Molecular formula
C18H19BrN6O
Molecular weight
415.3
Exact mass
414.0804
XLogP
2.77
TPSA
85.94
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
105.66
Supplementary Information
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