SMILES:
O=C(Nc1ccnc(Br)c1)c1c(Cl)cccc1ClMolecular Processing
Molecular formula
C12H7BrCl2N2O
Molecular weight
346.01
Exact mass
343.9119
XLogP
4.4
TPSA
41.99
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
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
Molar refractivity
76.35
Supplementary Information
Récupération des détails…
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