Nom: 2-amino-6-ethyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde
SMILES:
CCc1ccc2oc(N)c(C=O)c(=O)c2c1Molecular Processing
Molecular formula
C12H11NO3
Molecular weight
217.22
Exact mass
217.0739
XLogP
1.75
TPSA
73.3
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
61.66
Supplementary Information
Récupération des détails…
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