Название: Intermediate A
SMILES:
CC[C@H](C(=O)OC)N(c1nc(Cl)ncc1[N+](=O)[O-])C1CCCC1Molecular Processing
Molecular formula
C14H19ClN4O4
Molecular weight
342.78
Exact mass
342.1095
XLogP
2.74
TPSA
98.46
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
84.53
Supplementary Information
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