Name: 1-methyl-2-chloroethyl α-acetyl-3-nitrocinnamate
SMILES:
CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)CClMolecular Processing
Molecular formula
C14H14ClNO5
Molecular weight
311.72
Exact mass
311.0561
XLogP
2.74
TPSA
86.51
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
78.03
Supplementary Information
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