이름: 1-acetyl-3,4-dihydro-anthraquinone
SMILES:
CC(=O)C1=CCCC2=C1C(=O)c1ccccc1C2=OMolecular Processing
Molecular formula
C16H12O3
Molecular weight
252.27
Exact mass
252.0786
XLogP
2.67
TPSA
51.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
70.13
Supplementary Information
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