Name: [(5-bromo-2-nitro-phenyl)-methyl-amino]-acetic acid
SMILES:
CN(CC(=O)O)c1cc(Br)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C9H9BrN2O4
Molecular weight
289.08
Exact mass
287.9746
XLogP
1.88
TPSA
83.68
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
61.7
Supplementary Information
Details werden geladen…
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