COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.Cc1ccc(S(=O)(=O)[O-])cc1
SMILES: COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.Cc1ccc(S(=O)(=O)[O-])cc1

Molecular Processing

Molecular formula
C23H23ClNO5S2-
Molecular weight
493.03
Exact mass
492.0712
XLogP
4.57
TPSA
86.74
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
-1
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.261
Molar refractivity
123.78

Supplementary Information

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