이름: methyl 6-(2,2-dimethylpropionylamino)-2-nitro-3-(2-oxopyrrolidin-1-yl)-benzoate
SMILES:
COC(=O)c1c(NC(=O)C(C)(C)C)ccc(N2CCCC2=O)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C17H21N3O6
Molecular weight
363.37
Exact mass
363.143
XLogP
2.49
TPSA
118.85
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
94.11
Supplementary Information
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