الاسم: N-(3-methoxy-4-nitrobenzoyl)serine methyl ester
SMILES:
COC(=O)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1Molecular Processing
Molecular formula
C12H14N2O7
Molecular weight
298.25
Exact mass
298.0801
XLogP
-0.13
TPSA
128
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
70
Supplementary Information
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