Name: tert-butyl [(3-methylamino-4-nitrophenyl)methyl]carbamate
SMILES:
CNc1cc(CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C13H19N3O4
Molecular weight
281.31
Exact mass
281.1376
XLogP
2.66
TPSA
93.5
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
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
0.462
Molar refractivity
75.72
Supplementary Information
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