SMILES:
O=C(NCCO)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C9H8N4O8
Molecular weight
300.18
Exact mass
300.0342
XLogP
0.13
TPSA
178.75
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
65.82
Supplementary Information
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