이름: N-(3-methyl-4-nitrobenzoyl)serine methyl ester
SMILES:
COC(=O)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(C)c1Molecular Processing
Molecular formula
C12H14N2O6
Molecular weight
282.25
Exact mass
282.0852
XLogP
0.17
TPSA
118.77
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
68.19
Supplementary Information
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