Name: N-[(1S)-2-hydroxy-1-(3-nitrobenzyl)ethyl]acetamide
SMILES:
CC(=O)N[C@H](CO)Cc1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C11H14N2O4
Molecular weight
238.24
Exact mass
238.0954
XLogP
0.63
TPSA
92.47
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
61.49
Supplementary Information
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