Name: 6-Chloro-7-nitro-4H-benzo[1,4]oxazin-3-one
SMILES:
O=C1COc2cc([N+](=O)[O-])c(Cl)cc2N1Molecular Processing
Molecular formula
C8H5ClN2O4
Molecular weight
228.59
Exact mass
227.9938
XLogP
1.58
TPSA
81.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
52.23
Supplementary Information
Details werden geladen…
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