Name: 4,5-epoxy-7-nitro-2,3,4,5-tetrahydro-1-benzoxepine
SMILES:
O=[N+]([O-])c1ccc2c(c1)C1OC1CCO2Molecular Processing
Molecular formula
C10H9NO4
Molecular weight
207.18
Exact mass
207.0532
XLogP
1.82
TPSA
64.9
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
50.82
Supplementary Information
Details werden geladen…
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