Name: 7-Nitro-1H-3,1-benzoxazine-2,4-dione
SMILES:
O=c1[nH]c2cc([N+](=O)[O-])ccc2c(=O)o1Molecular Processing
Molecular formula
C8H4N2O5
Molecular weight
208.13
Exact mass
208.012
XLogP
0.39
TPSA
106.21
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
49.76
Supplementary Information
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