SMILES:
Br.Brc1c(-c2ccccc2)nn(-c2ccccc2)c1NC1=NCCN1Molecular Processing
Molecular formula
C18H17Br2N5
Molecular weight
463.18
Exact mass
460.9851
XLogP
4.25
TPSA
54.24
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.111
Molar refractivity
110.95
Supplementary Information
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