Name: 1-amino-4-phenylmercaptoanthraquinone
SMILES:
Nc1ccc(Sc2ccccc2)c2c1C(=O)c1ccccc1C2=OMolecular Processing
Molecular formula
C20H13NO2S
Molecular weight
331.4
Exact mass
331.0667
XLogP
4.2
TPSA
60.16
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
94.73
Supplementary Information
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