Nombre: 5-nitro-1,4,4a,9a-tetrahydroanthraquinone
SMILES:
O=C1c2cccc([N+](=O)[O-])c2C(=O)C2CC=CCC12Molecular Processing
Molecular formula
C14H11NO4
Molecular weight
257.24
Exact mass
257.0688
XLogP
2.56
TPSA
77.28
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
67.11
Supplementary Information
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