Nombre: 2,2,4,6,7-Pentamethyl-3-(4-methylphenyl)-5-nitro-2,3-dihydrobenzofuran
SMILES:
Cc1ccc(C2c3c(C)c([N+](=O)[O-])c(C)c(C)c3OC2(C)C)cc1Molecular Processing
Molecular formula
C20H23NO3
Molecular weight
325.41
Exact mass
325.1678
XLogP
5.13
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
95.04
Supplementary Information
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