이름: 1-amino-4-hydroxy-2-chloroanthraquinone
SMILES:
Nc1c(Cl)cc(O)c2c1C(=O)c1ccccc1C2=OMolecular Processing
Molecular formula
C14H8ClNO3
Molecular weight
273.68
Exact mass
273.0193
XLogP
2.4
TPSA
80.39
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
70.84
Supplementary Information
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