이름: 2-methyl-3,5-dinitrobenzofuran
SMILES:
Cc1oc2ccc([N+](=O)[O-])cc2c1[N+](=O)[O-]Molecular Processing
Molecular formula
C9H6N2O5
Molecular weight
222.16
Exact mass
222.0277
XLogP
2.56
TPSA
99.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
16
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
0.111
Molar refractivity
54.26
Supplementary Information
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