Name: ethyl (2S)-2-(acetylamino)-3-(3-nitrophenyl)propanoate
SMILES:
CCOC(=O)[C@H](Cc1cccc([N+](=O)[O-])c1)NC(C)=OMolecular Processing
Molecular formula
C13H16N2O5
Molecular weight
280.28
Exact mass
280.1059
XLogP
1.21
TPSA
98.54
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
71.04
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→