SMILES:
Brc1cnc(N2CCCCC2)nc1Molecular Processing
Molecular formula
C9H12BrN3
Molecular weight
242.12
Exact mass
241.0215
XLogP
2.23
TPSA
29.02
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
55.8
Supplementary Information
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