이름: 2,3,8,9-tetrachloro-6,11-dihydroxynaphthacene-5,12-dione
SMILES:
O=C1c2cc(Cl)c(Cl)cc2C(=O)c2c1c(O)c1cc(Cl)c(Cl)cc1c2OMolecular Processing
Molecular formula
C18H6Cl4O4
Molecular weight
428.05
Exact mass
425.902
XLogP
5.64
TPSA
74.6
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
100.62
Supplementary Information
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