SMILES:
Brc1cnc(N2CCNCC2)nc1.ClMolecular Processing
Molecular formula
C8H12BrClN4
Molecular weight
279.57
Exact mass
277.9934
XLogP
1.07
TPSA
41.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
62.06
Supplementary Information
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