Nom: product
SMILES:
CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1C)OCO3Molecular Processing
Molecular formula
C19H19N3O3
Molecular weight
337.38
Exact mass
337.1426
XLogP
2.54
TPSA
77.15
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
94.74
Supplementary Information
Récupération des détails…
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