Nombre: 1-Acetyl-4,6-dimethyl-5-nitroindoline
SMILES:
CC(=O)N1CCc2c1cc(C)c([N+](=O)[O-])c2CMolecular Processing
Molecular formula
C12H14N2O3
Molecular weight
234.25
Exact mass
234.1004
XLogP
2.12
TPSA
63.45
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
64.3
Supplementary Information
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