SMILES:
Cc1cc(C#N)cc(C(N)=O)c1NC(=O)c1cc(Br)nn1-c1ncccc1ClMolecular Processing
Molecular formula
C18H12BrClN6O2
Molecular weight
459.69
Exact mass
457.9894
XLogP
3.21
TPSA
126.69
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.056
Molar refractivity
106.43
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→