SMILES:
CC(C)Oc1ccc(Br)cc1-c1cc(Cl)nc(N)n1Molecular Processing
Molecular formula
C13H13BrClN3O
Molecular weight
342.62
Exact mass
340.9931
XLogP
3.93
TPSA
61.03
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
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
0.231
Molar refractivity
80.35
Supplementary Information
Récupération des détails…
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