Name: product
SMILES:
COCCCNc1ccc2ncc(Br)n2n1Molecular Processing
Molecular formula
C10H13BrN4O
Molecular weight
285.14
Exact mass
284.0273
XLogP
1.94
TPSA
51.45
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
65.67
Supplementary Information
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