Name: methyl 3-amino-5-(4-morpholinyl)-2-nitrobenzoate
SMILES:
COC(=O)c1cc(N2CCOCC2)cc(N)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C12H15N3O5
Molecular weight
281.27
Exact mass
281.1012
XLogP
0.8
TPSA
107.93
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
71.88
Supplementary Information
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