Nombre: diacid
SMILES:
O=C(O)CCSC(SCCC(=O)O)c1cccc(SCc2ccc3ccc(Cl)cc3n2)c1Molecular Processing
Molecular formula
C23H22ClNO4S3
Molecular weight
508.09
Exact mass
507.0399
XLogP
6.59
TPSA
87.49
H-bond donors
2
H-bond acceptors
6
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
9
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
134.92
Supplementary Information
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