SMILES:
Cc1nc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1CNC1=NCCN1Molecular Processing
Molecular formula
C21H20N6O2
Molecular weight
388.43
Exact mass
388.1648
XLogP
3.08
TPSA
105.34
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
111.44
Supplementary Information
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