Name: tert-butyl [(3S)-1-(3-nitropyridin-4-yl)piperidin-3-yl]carbamate
SMILES:
CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1Molecular Processing
Molecular formula
C15H22N4O4
Molecular weight
322.37
Exact mass
322.1641
XLogP
2.48
TPSA
97.6
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
85.5
Supplementary Information
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