SMILES:
Brc1c[nH]nc1CN1CCN(Cc2n[nH]cc2Br)CCN(Cc2n[nH]cc2Br)CC1Molecular Processing
Molecular formula
C18H24Br3N9
Molecular weight
606.16
Exact mass
602.9705
XLogP
2.96
TPSA
95.76
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
124.69
Supplementary Information
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