名称: diacid
SMILES:
O=C(O)CCSC(SCCC(=O)O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1Molecular Processing
Molecular formula
C24H24ClNO4S2
Molecular weight
490.05
Exact mass
489.0835
XLogP
6.09
TPSA
87.49
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
132.77
Supplementary Information
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