Name: compound B2
SMILES:
Cc1cc(Nc2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)nc(N)n1.ClMolecular Processing
Molecular formula
C18H17ClN6O3
Molecular weight
400.83
Exact mass
400.1051
XLogP
3.69
TPSA
136.07
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
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
2
Fraction Csp3
0.056
Molar refractivity
109.2
Supplementary Information
Details werden geladen…
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