Name: N-(5-methylisoxaz-3-oyl)-3-nitrobenzylamine
SMILES:
Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)no1Molecular Processing
Molecular formula
C12H11N3O4
Molecular weight
261.24
Exact mass
261.075
XLogP
1.82
TPSA
98.27
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
65.51
Supplementary Information
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Involved in 4 reactions→