SMILES:
COc1ccc(CNc2cc(Nc3cnc(C#N)cn3)ncc2[N+](=O)[O-])cc1Molecular Processing
Molecular formula
C18H15N7O3
Molecular weight
377.36
Exact mass
377.1236
XLogP
3.02
TPSA
138.89
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
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
0.111
Molar refractivity
101.24
Supplementary Information
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