SMILES:
N#Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C14H8N4O5
Molecular weight
312.24
Exact mass
312.0495
XLogP
2.63
TPSA
139.17
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0
Molar refractivity
78.86
Supplementary Information
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