SMILES:
CN1CCN(c2ncc(Br)cn2)CC1Molecular Processing
Molecular formula
C9H13BrN4
Molecular weight
257.13
Exact mass
256.0324
XLogP
0.99
TPSA
32.26
H-bond donors
0
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
5
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
59.44
Supplementary Information
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