SMILES:
CCCC(Br)c1ncc[nH]1Molecular Processing
Molecular formula
C7H11BrN2
Molecular weight
203.08
Exact mass
202.0106
XLogP
2.65
TPSA
28.68
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
45.16
Supplementary Information
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