Nom: methyl 4-nitro-3-valerylaminobenzoate
SMILES:
CCCCC(=O)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C13H16N2O5
Molecular weight
280.28
Exact mass
280.1059
XLogP
2.51
TPSA
98.54
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
72.59
Supplementary Information
Récupération des détails…
Impliqué dans 5 réactions→