Name: heptanoic acid [2-(4-nitro-phenyl)-ethyl]-amide
SMILES:
CCCCCCC(=O)NCCc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C15H22N2O3
Molecular weight
278.35
Exact mass
278.163
XLogP
3.22
TPSA
72.24
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
78.57
Supplementary Information
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